(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[(2S)-2-[[(2R)-4-methylsulfanyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[(2S)-2-[[(2R)-4-methylsulfanyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[(2S)-2-[[(1R)-1-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[(2S)-2-[[[(2R)-1-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-[(2S)-2-[[(2R)-1-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[(2S)-2-[[(1R)-1-[[(1S)-1-carboxy-3-(methylthio)propyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C38H59N7O10S2 MolecularWeight: 838.04596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCCC2C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C38H59N7O10S2/c1-22(2)20-25(39)33(49)40-23(3)32(48)44-29(21-24-10-7-6-8-11-24)35(51)42-27(13-14-31(46)47)37(53)45-17-9-12-30(45)36(52)41-26(15-18-56-4)34(50)43-28(38(54)55)16-19-57-5/h6-8,10-11,22-23,25-30H,9,12-21,39H2,1-5H3,(H,40,49)(H,41,52)(H,42,51)(H,43,50)(H,44,48)(H,46,47)(H,54,55)/t23-,25-,26+,27-,28-,29-,30-/m0/s1