AG000JAV

122752-16-3 | Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-α-glutamyl-L-valyl-L-valyl-

AG000JAV

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CAS Number	122752-16-3
Catalog Number	AG000JAV(AGN-PC-0PGMXP)
Chemical Name	Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-α-glutamyl-L-valyl-L-valyl-
IUPAC Name	(4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
InChI	InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
InChI Key	NUNBRHVOPFWRRG-RCEFDBTISA-N
MDL Number	MFCD00080072
Molecular Formula	C38H54N8O10
Molecular Weight	782.8830
SMILES	[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)CC1C=CC(O)=CC=1)(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)CC1C=CC=CC=1
Synonyms	(Ala(2))deltorphin II, (Ala(2),Glu(4))deltorphin, 2-Ala-4-Glu-deltorphin, DELT II, DELT-II, deltorphin II, deltorphin II, Ala(2)-, deltorphin, Ala(2)-Glu(4)-, deltorphin, alanyl(2)-glutamyl(4)-, deltorphin-II, Tyr-Ala-Phe-Glu-Val-Val-Gly-NH2, Deltorphin II, 122752-16-3, Deltorphin B, Deltorphin 2, [D-Ala2]-Deltorphin II, DELTORPHINII, CHEMBL20226, CHEBI:81498, MFCD00080072, Tyr-D-Ala-Phe-Glu-Val-Val-Gly amide, Tyr-D-Ala-Phe-Glu-Val-Val-Gly-NH2, (S)-5-((S)-1-((S)-1-(2-amino-2-oxoethylamino)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-4-((S)-2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamido)-3-phenylpropanamido)-5-oxopentanoic acid, H2N-Tyr-D-Ala-Phe-Glu-Val-Val-Gly-NH2, 4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid, HY-P1013, BDBM50000507, Tyr-D-Ala-Phe-Glu-Val-Val-GlyNH2, ZINC95628075, AKOS024456444, CS-7608, NCGC00167311-01, [D-Ala2]-Deltorphin II, >97%, powder, FT-0771833, [D-Ala2]-Deltorphin II, >=97% (HPLC), C18095, C-54172, (S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid, 4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid (deltorphin B), Deltorphin-II, Delt II, Delt-II, (Ala(2))deltorphin II, [D-Ala2] Deltorphin II, deltorphin II, Ala(2)-, (Ala(2),glu(4))deltorphin, Deltorphin, ala(2)-glu(4)-, Tyr-ala-phe-glu-val-val-gly-NH2, C38H54N8O10, Deltorphin, alanyl(2)-glutamyl(4)-, C38-H54-N8-O10, CID10033203, Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-alpha-glutamyl-L-valyl-L-valyl-, (R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-5-guanidino-pentanoic acid [(S)-1-(2-carbamoyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide,

Complexity	1360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	782.396g/mol
Formal Charge	0
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	10
Isotope Atom Count	0
Molecular Weight	782.896g/mol
Monoisotopic Mass	782.396g/mol
Rotatable Bond Count	22
Topological Polar Surface Area	301A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

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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