(2S)-N-[(2R)-1-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[2-(1-sulfanylcyclohexyl)ethanoylamino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]butanediamide

Systemtic Name: (2S)-N-[(2R)-1-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[2-(1-sulfanylcyclohexyl)ethanoylamino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]butanediamide Openeye Name: (2S)-N-[(1R)-2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-1-methanethioyl-2-oxo-ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]butanediamide CAS Name: (2S)-N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylidenepropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-mercaptocyclohexyl)-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]butanediamide IUPAC Name: (2S)-N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylidenepropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanediamide Traditional Name: (2S)-N-[(1R)-2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-2-keto-1-thioformyl-ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(1-mercaptocyclohexyl)acetyl]amino]-3-p-phenetyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]succinamide Formula: C46H67N9O9S2 MolecularWeight: 954.20908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)NC(CCCCN)C(=O)N)NC(=O)CC3(CCCCC3)S

Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CC3(CCCCC3)S

InChI

InChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33(50-38(57)26-46(66)20-10-6-11-21-46)41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(27-65)44(62)51-32(40(49)58)15-9-12-22-47/h5,7-8,13-14,16-19,27-28,32-36,39,66H,4,6,9-12,15,20-26,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)/t32-,33+,34-,35-,36-,39-/m0/s1