(3S)-4-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-1-[(2S)-2-[[(1S)-4-amino-1-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methylsulfanyl-propyl]amino]-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-[(2S)-2-[[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-(methylthio)-1-oxobutan-2-yl]amino]-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-[(2S)-2-[[(1S)-4-amino-1-[[(1S)-1-carboxy-3-(methylthio)propyl]carbamoyl]-4-keto-butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-(methylthio)propyl]amino]-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butyric acid Formula: C37H63N9O13S2 MolecularWeight: 906.07862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)O)NC(=O)C(C)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C37H63N9O13S2/c1-18(2)16-24(43-30(51)19(3)38)33(54)45-29(20(4)47)35(56)44-25(17-28(49)50)32(53)41-22(11-14-60-5)36(57)46-13-7-8-26(46)34(55)40-21(9-10-27(39)48)31(52)42-23(37(58)59)12-15-61-6/h18-26,29,47H,7-17,38H2,1-6H3,(H2,39,48)(H,40,55)(H,41,53)(H,42,52)(H,43,51)(H,44,56)(H,45,54)(H,49,50)(H,58,59)/t19-,20+,21-,22-,23-,24-,25-,26-,29-/m0/s1