N-(2-adamantyl)-2-[2-[[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoylamino]-3-phenyl-propanamide

Systemtic Name: N-(2-adamantyl)-2-[2-[[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoylamino]-3-phenyl-propanamide Openeye Name: N-(2-adamantyl)-2-[[2-[(2-amino-3-benzylsulfanyl-propanoyl)amino]acetyl]amino]-3-phenyl-propanamide CAS Name: N-(2-adamantyl)-2-[[2-[[2-amino-1-oxo-3-(phenylmethylthio)propyl]amino]-1-oxoethyl]amino]-3-phenylpropanamide IUPAC Name: N-(2-adamantyl)-2-[[2-[(2-amino-3-benzylsulfanylpropanoyl)amino]acetyl]amino]-3-phenylpropanamide Traditional Name: N-(2-adamantyl)-2-[[2-[[2-amino-3-(benzylthio)propanoyl]amino]acetyl]amino]-3-phenyl-propionamide Formula: C31H40N4O3S MolecularWeight: 548.7393

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)C(CSCC5=CC=CC=C5)N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)C(CSCC5=CC=CC=C5)N

InChI

InChI=1S/C31H40N4O3S/c32-26(19-39-18-21-9-5-2-6-10-21)30(37)33-17-28(36)34-27(16-20-7-3-1-4-8-20)31(38)35-29-24-12-22-11-23(14-24)15-25(29)13-22/h1-10,22-27,29H,11-19,32H2,(H,33,37)(H,34,36)(H,35,38)