AG00D884

51833-78-4 | ASP-ARG-VAL-TYR-ILE-HIS-PRO

AG00D884

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CAS Number	51833-78-4
Catalog Number	AG00D884(AGN-PC-0SBDLI)
Chemical Name	ASP-ARG-VAL-TYR-ILE-HIS-PRO
IUPAC Name	(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1
InChI Key	PVHLMTREZMEJCG-GDTLVBQBSA-N
MDL Number	MFCD00153513
Molecular Formula	C41H62N12O11
Molecular Weight	899.0048
SMILES	OC(C=C1)=CC=C1C[C@H](NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@@H](N)CC(O)=O)=O)=O)=O)C(N[C@]([C@@H](C)CC)([H])C(N[C@@H](CC2=CNC=N2)C(N3[C@@H](CCC3)C(O)=O)=O)=O)=O
UNII	IJ3FUK8MOF
Synonyms	Ang I (1-7), angiotensin (1-7), angiotensin 1-7, angiotensin I (1-7), angiotensin II (1-7), angiotensin II (1-7) heptapeptide, angiotensin II-(1-7), angiotensin-(1-7), angiotensin-I (1-7), Angiotensin (1-7), 51833-78-4, Angiotensin i (1-7), angiotensin-(1-7), angiotensin 1-7, Angiotensin II (1-7) heptapeptide, angiotensin II (1-7), 8-Des-phe-angiotensin II, TXA127, UNII-IJ3FUK8MOF, ASP-ARG-VAL-TYR-ILE-HIS-PRO, IJ3FUK8MOF, Angiotensin, Canine, Rat, Angiotensin I/II (1-7), Ang-(1-7), CHEBI:55438, TXA-127, Ile(5)-angiotensin II (1-7), MFCD00153513, 39386-80-6, Angiotensin II, 5-L-isoleucine-8-de-L-phenylalanine-, L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-proline, Human angiotensin-(1-7), 1-7-Human angiotensin II, Angiotensin II, des-phe(8)-, TXA 127, C41H62N12O11, AngiotensinI(1-7), Angiotensin II, des-phenylalanine(8)-, Angiotensin, canine, ra, AC1L3XBS, ang 1-7, GTPL582, Ang(1-7), Angiotensin, (rat or canine), [Ile5]Angiotensin I (1-7), CHEMBL3545347, SCHEMBL15926158, BDBM85556, PVHLMTREZMEJCG-GDTLVBQBSA-N, TXA127; Ang-(1-7), 3446AH, ZINC96077632, AKOS024456667, CS-3413, DB11720, Angiotensin (1-7) acetate salt hydrate, Angiotensin II, 8-de-L-phenylalanine-, NCGC00167219-01, AN-41151, HY-12403, LS-186832, LS-187001, LS-187781, C15850, 833A784, (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2, (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid, (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid, (S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-4-yl)methyl)-1-amino-6-((S)-2-amino-3-carboxypropanamido)-15-sec-butyl-12-(4-hydroxybenzyl)-1-imino-9-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadecane)pyrrolidine-2-carboxylic acid, angiotensin-I (1-7), angiotensin II-(1-7), D0MH8O, Angiotensin-(1-7) (cancer), Ang (1-7), Ang I (1-7), CID123805, C41-H62-N12-O11, A1041, C118790, Angiotensin-(1-7) (cancer), Wake Forest University, Aspartyl-argininyl-valinyl-tyrosinyl-isoleucinyl-histidinyl-proline,

Complexity	1660
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	898.466g/mol
Formal Charge	0
Heavy Atom Count	64
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	12
Isotope Atom Count	0
Molecular Weight	899.02g/mol
Monoisotopic Mass	898.466g/mol
Rotatable Bond Count	25
Topological Polar Surface Area	380A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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