N-(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanamide

Systemtic Name: N-(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]acetyl]amino]-N-(1-carbamoyl-3-methylsulfanyl-propyl)-4-methyl-pentanamide CAS Name: N-[1-amino-4-(methylthio)-1-oxobutan-2-yl]-2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide Traditional Name: N-[1-carbamoyl-3-(methylthio)propyl]-4-methyl-2-[[2-[[3-phenyl-2-(phenylalanylamino)propanoyl]amino]acetyl]amino]valeramide Formula: C31H44N6O5S MolecularWeight: 612.78326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)