(3S)-3-azanyl-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-[2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]ethanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-[2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]ethanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]-[2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]acetyl]amino]-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-[2-[[(2S)-2-(methylamino)-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]acetyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]-[2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]acetyl]amino]-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-4-keto-butyric acid Formula: C40H56N8O11S MolecularWeight: 856.98464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)N(C(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C40H56N8O11S/c1-23(2)17-31(39(58)45-27(35(42)54)15-16-60-4)48(32(49)22-44-37(56)28(43-3)18-24-11-7-5-8-12-24)40(59)30(19-25-13-9-6-10-14-25)47-38(57)29(21-34(52)53)46-36(55)26(41)20-33(50)51/h5-14,23,26-31,43H,15-22,41H2,1-4H3,(H2,42,54)(H,44,56)(H,45,58)(H,46,55)(H,47,57)(H,50,51)(H,52,53)/t26-,27-,28-,29-,30-,31-/m0/s1