(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phosphonooxy-butanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phosphonooxy-butanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-phosphonooxy-butanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phosphonooxybutyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phosphonooxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-phosphonooxy-butanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-5-guanidino-valeric acid Formula: C34H66N15O14P MolecularWeight: 939.953701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C(C)OP(=O)(O)O)NC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)NC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C34H66N15O14P/c1-16(26(52)47-22(32(58)59)10-7-15-43-34(40)41)44-30(56)24(17(2)50)48-29(55)21(11-12-23(37)51)45-28(54)20(9-4-5-13-35)46-31(57)25(18(3)63-64(60,61)62)49-27(53)19(36)8-6-14-42-33(38)39/h16-22,24-25,50H,4-15,35-36H2,1-3H3,(H2,37,51)(H,44,56)(H,45,54)(H,46,57)(H,47,52)(H,48,55)(H,49,53)(H,58,59)(H4,38,39,42)(H4,40,41,43)(H2,60,61,62)/t16-,17+,18+,19-,20-,21-,22-,24-,25-/m0/s1