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

Systemtic Name: 3-[2-[[2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[3-oxidanyl-1-oxidanylidene-1-[2-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]butanoic acid Openeye Name: 3-[[2-[[2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[1-(hydroxymethyl)-2-[2-[[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[3-hydroxy-1-[2-[[[1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[3-hydroxy-1-[2-[[1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-(glycylamino)-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[2-[2-[[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidino]-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid Formula: C28H47N11O12S MolecularWeight: 761.80428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS)C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CN

Isomeric SMILES

CC(C(=O)NC(CS)C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C28H47N11O12S/c1-13(22(45)38-17(12-52)27(50)51)34-25(48)18-5-3-7-39(18)26(49)16(11-40)37-24(47)15(8-21(43)44)36-20(42)10-33-23(46)14(35-19(41)9-29)4-2-6-32-28(30)31/h13-18,40,52H,2-12,29H2,1H3,(H,33,46)(H,34,48)(H,35,41)(H,36,42)(H,37,47)(H,38,45)(H,43,44)(H,50,51)(H4,30,31,32)