2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[4-(3-methylbutylamino)-4-oxidanylidene-butyl]phenyl]-4-methylsulfonyl-butanamide

Systemtic Name: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[4-(3-methylbutylamino)-4-oxidanylidene-butyl]phenyl]-4-methylsulfonyl-butanamide Openeye Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[4-(isopentylamino)-4-oxo-butyl]phenyl]-4-methylsulfonyl-butanamide CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[2-[4-(3-methylbutylamino)-4-oxobutyl]phenyl]-4-methylsulfonylbutanamide IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[4-(3-methylbutylamino)-4-oxobutyl]phenyl]-4-methylsulfonylbutanamide Traditional Name: N-[2-[4-(isoamylamino)-4-keto-butyl]phenyl]-4-mesyl-2-(tyrosylamino)butyramide Formula: C29H42N4O6S MolecularWeight: 574.73198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC(C)CCNC(=O)CCCC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C29H42N4O6S/c1-20(2)15-17-31-27(35)10-6-8-22-7-4-5-9-25(22)32-29(37)26(16-18-40(3,38)39)33-28(36)24(30)19-21-11-13-23(34)14-12-21/h4-5,7,9,11-14,20,24,26,34H,6,8,10,15-19,30H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)