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

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phosphonooxy-butanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phosphonooxy-butanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phosphonooxybutyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phosphonooxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phosphonooxy-butanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propionic acid Formula: C31H59N12O14P MolecularWeight: 854.845921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)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)NC(=O)C(C)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)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)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C31H59N12O14P/c1-14(33)24(46)39-19(9-7-13-37-31(35)36)26(48)43-23(17(4)57-58(54,55)56)29(51)41-18(8-5-6-12-32)25(47)40-20(10-11-21(34)45)27(49)42-22(16(3)44)28(50)38-15(2)30(52)53/h14-20,22-23,44H,5-13,32-33H2,1-4H3,(H2,34,45)(H,38,50)(H,39,46)(H,40,47)(H,41,51)(H,42,49)(H,43,48)(H,52,53)(H4,35,36,37)(H2,54,55,56)/t14-,15-,16+,17+,18-,19-,20-,22-,23-/m0/s1