(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]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)-2-azanyl-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]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)-2-amino-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-[[(1S)-1-carboxy-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]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)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]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)-2-amino-4-(methylthio)butanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-[[(1S)-1-carboxy-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C30H52N6O9S MolecularWeight: 672.83368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)N

InChI

InChI=1S/C30H52N6O9S/c1-15(2)22(27(41)32-19(10-11-21(37)38)25(39)35-24(17(5)6)30(44)45)34-28(42)23(16(3)4)33-26(40)20-9-8-13-36(20)29(43)18(31)12-14-46-7/h15-20,22-24H,8-14,31H2,1-7H3,(H,32,41)(H,33,40)(H,34,42)(H,35,39)(H,37,38)(H,44,45)/t18-,19-,20-,22-,23-,24-/m0/s1