(3S)-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-1-[[(1S)-5-amino-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-[[(1S)-5-amino-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-(methylthio)butanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C41H73N9O12S MolecularWeight: 916.13642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H73N9O12S/c1-21(2)18-27(45-36(56)28(19-22(3)4)47-38(58)30-13-11-16-50(30)40(60)25(43)14-17-63-8)35(55)46-29(20-31(52)53)37(57)48-32(23(5)6)39(59)44-26(12-9-10-15-42)34(54)49-33(24(7)51)41(61)62/h21-30,32-33,51H,9-20,42-43H2,1-8H3,(H,44,59)(H,45,56)(H,46,55)(H,47,58)(H,48,57)(H,49,54)(H,52,53)(H,61,62)/t24-,25+,26+,27+,28+,29+,30+,32+,33+/m1/s1