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AG00JKIV

Name: Isovaleryl-phe-nle-sta-Ala-sta-OH
Brand: Angene Chemical
SKU: AG00JKIV

98092-14-9 | Isovaleryl-phe-nle-sta-Ala-sta-OH

Chemical structure of Isovaleryl-phe-nle-sta-Ala-sta-OH, CAS 98092-14-9

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CAS Number	98092-14-9
Catalog Number	AG00JKIV(AGN-PC-0W7V4W)
Chemical Name	Isovaleryl-phe-nle-sta-Ala-sta-OH
IUPAC Name	(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-2-[[(2S)-2-(3-methylbutanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI	InChI=1S/C39H65N5O9/c1-9-10-16-28(42-39(53)31(41-34(47)19-25(6)7)20-27-14-12-11-13-15-27)38(52)44-29(17-23(2)3)32(45)21-35(48)40-26(8)37(51)43-30(18-24(4)5)33(46)22-36(49)50/h11-15,23-26,28-33,45-46H,9-10,16-22H2,1-8H3,(H,40,48)(H,41,47)(H,42,53)(H,43,51)(H,44,52)(H,49,50)/t26-,28-,29-,30-,31-,32-,33-/m0/s1
InChI Key	WHOPFGFKWFYQSR-VJBGVNKVSA-N
MDL Number	MFCD00238289
Molecular Formula	C39H65N5O9
Molecular Weight	747.9615
SMILES	CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O
Synonyms	isovaleryl-phenylalanyl-norleucyl-statine-alanyl-hydroxystatine, Iva-Phe-Nle-Sta-Ala-Sta-OH, SR 42128, SR 42128A, SR-42128, SR-42128A, ISOVALERYL-PHE-NLE-STA-ALA-STA-OH, 98092-14-9, CHEMBL3142792, C39H65N5O9, CHEMBL16033, 7284AH, BDBM50024167, MFCD00238289, ZINC150340288, (6S,9S,12S,13S,17S,20S,21S)-6-benzyl-9-butyl-13,21-dihydroxy-12,20-diisobutyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-5,8,11,16,19-pentaazatricosan-23-oic acid, 3-Hydroxy-4-[2-(3-hydroxy-6-methyl-4-{2-[2-(3-methyl-butyrylamino)-3-phenyl-propionylamino]-hexanoylamino}-heptanoylamino)-propionylamino]-6-methyl-heptanoic acid, Iva-phe-nle-sta-ala-sta-OH, C39-H65-N5-O9, SR 42128, SR-42128, Isovaleryl-phenylalanyl-norleucyl-statine-alanyl-hydroxystatine,

Complexity	1160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	747.478g/mol
Formal Charge	0
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	747.975g/mol
Monoisotopic Mass	747.478g/mol
Rotatable Bond Count	25
Topological Polar Surface Area	223A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited