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

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-[[(1S)-1-carboxy-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-5-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-[[(1S)-1-carboxy-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C38H66N8O12S MolecularWeight: 859.04204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CCSC)N

Isomeric SMILES

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

InChI

InChI=1S/C38H66N8O12S/c1-18(2)17-25(34(53)40-21(7)31(50)41-24(12-13-27(48)49)33(52)44-29(20(5)6)38(57)58)42-35(54)26-11-10-15-46(26)37(56)30(22(8)47)45-36(55)28(19(3)4)43-32(51)23(39)14-16-59-9/h18-26,28-30,47H,10-17,39H2,1-9H3,(H,40,53)(H,41,50)(H,42,54)(H,43,51)(H,44,52)(H,45,55)(H,48,49)(H,57,58)/t21-,22+,23-,24-,25-,26-,28-,29-,30-/m0/s1