(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3,3-diphenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3,3-diphenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3,3-diphenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-1-oxo-3,3-diphenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-3-cyclohexyl-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-cyclohexylpropanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3,3-diphenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-mercapto-propionic acid Formula: C33H46N4O5S MolecularWeight: 610.80714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)O)NC(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C33H46N4O5S/c1-3-21(2)29(37-31(39)28(34)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24)32(40)35-25(19-22-13-7-4-8-14-22)30(38)36-26(20-43)33(41)42/h5-6,9-12,15-18,21-22,25-29,43H,3-4,7-8,13-14,19-20,34H2,1-2H3,(H,35,40)(H,36,38)(H,37,39)(H,41,42)/t21-,25-,26-,28-,29-/m0/s1