(3S)-3-[2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[(2S)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[(2S)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-(hydroxymethyl)-2-[(2S)-2-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(2S)-3-hydroxy-1-[(2S)-2-[[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-3-hydroxy-1-[(2S)-2-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1S)-2-[(2S)-2-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidino]-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid Formula: C26H44N10O11S2 MolecularWeight: 736.81796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CS)N)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)N)C(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C26H44N10O11S2/c27-12(10-48)20(41)33-13(3-1-5-30-26(28)29)21(42)31-8-18(38)32-14(7-19(39)40)22(43)34-15(9-37)24(45)36-6-2-4-17(36)23(44)35-16(11-49)25(46)47/h12-17,37,48-49H,1-11,27H2,(H,31,42)(H,32,38)(H,33,41)(H,34,43)(H,35,44)(H,39,40)(H,46,47)(H4,28,29,30)/t12-,13-,14-,15-,16-,17-/m0/s1