(3S)-3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-[[(1S)-1-[[(1S)-1-[[(1S)-4-guanidino-1-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-4-[[(1S)-1-[[(1S)-1-[[(1S)-4-guanidino-1-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]carbamoyl]butyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C27H47N9O12S MolecularWeight: 721.78018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C27H47N9O12S/c1-12(2)20(36-24(45)16(10-19(40)41)33-21(42)13(28)6-8-49-3)25(46)34-15(9-18(38)39)23(44)32-14(5-4-7-31-27(29)30)22(43)35-17(11-37)26(47)48/h12-17,20,37H,4-11,28H2,1-3H3,(H,32,44)(H,33,42)(H,34,46)(H,35,43)(H,36,45)(H,38,39)(H,40,41)(H,47,48)(H4,29,30,31)/t13-,14-,15-,16-,17-,20-/m0/s1