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

Systemtic Name: (3S)-3-[[(2S)-4-azanyl-2-[2-[2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]ethanoylamino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]acetyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-4-[[(1S)-1-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]carbamoyl]-4-guanidino-butyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]acetyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-4-[[(1S)-1-[[(1S)-1-carboxy-3-(methylthio)propyl]carbamoyl]-4-guanidino-butyl]amino]-4-keto-butyric acid Formula: C26H45N11O12S MolecularWeight: 735.767

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)CNC(=O)C(CO)N

Isomeric SMILES

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

InChI

InChI=1S/C26H45N11O12S/c1-50-6-4-14(25(48)49)36-22(45)13(3-2-5-31-26(29)30)35-24(47)16(8-20(42)43)37-23(46)15(7-17(28)39)34-19(41)10-32-18(40)9-33-21(44)12(27)11-38/h12-16,38H,2-11,27H2,1H3,(H2,28,39)(H,32,40)(H,33,44)(H,34,41)(H,35,47)(H,36,45)(H,37,46)(H,42,43)(H,48,49)(H4,29,30,31)/t12-,13-,14-,15-,16-/m0/s1