4-[[4-azanyl-1-(carboxymethylamino)-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[1-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-azanyl-1-(carboxymethylamino)-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[1-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-amino-1-(carboxymethylcarbamoyl)-3-oxo-propyl]amino]-3-[[1-[2-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-amino-1-(carboxymethylamino)-1,4-dioxobutan-2-yl]amino]-3-[[[1-[2-[[5-(diaminomethylideneamino)-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-amino-1-(carboxymethylamino)-1,4-dioxobutan-2-yl]amino]-3-[[1-[2-[[2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-amino-1-(carboxymethylcarbamoyl)-3-keto-propyl]amino]-3-[[1-[2-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]acetyl]prolyl]amino]-4-keto-butyric acid Formula: C29H50N12O11 MolecularWeight: 742.7811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NCC(=O)O

InChI

InChI=1S/C29H50N12O11/c30-8-2-1-5-15(31)24(48)38-16(6-3-9-35-29(33)34)25(49)36-13-21(43)41-10-4-7-19(41)28(52)40-18(12-22(44)45)27(51)39-17(11-20(32)42)26(50)37-14-23(46)47/h15-19H,1-14,30-31H2,(H2,32,42)(H,36,49)(H,37,50)(H,38,48)(H,39,51)(H,40,52)(H,44,45)(H,46,47)(H4,33,34,35)