(4S)-4-[[(2S,3R)-2-[[(2S,3R)-2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S,3R)-2-[[(2S,3R)-2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-(carboxymethylamino)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S,3R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-(carboxymethylamino)-5-keto-valeric acid Formula: C23H41N9O11 MolecularWeight: 619.62534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C23H41N9O11/c1-10(33)17(31-14(35)8-28-19(40)12(24)4-3-7-27-23(25)26)22(43)32-18(11(2)34)21(42)30-13(5-6-15(36)37)20(41)29-9-16(38)39/h10-13,17-18,33-34H,3-9,24H2,1-2H3,(H,28,40)(H,29,41)(H,30,42)(H,31,35)(H,32,43)(H,36,37)(H,38,39)(H4,25,26,27)/t10-,11-,12+,13+,17+,18+/m1/s1