5-[bis(azanyl)methylideneamino]-2-[[2-methyl-1-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl]-oxidanyl-phosphoryl]oxy-pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[[2-methyl-1-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl]-oxidanyl-phosphoryl]oxy-pentanoic acid Openeye Name: 2-[[1-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-methyl-propyl]-hydroxy-phosphoryl]oxy-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[hydroxy-[2-methyl-1-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]propyl]phosphoryl]oxypentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[hydroxy-[2-methyl-1-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl]phosphoryl]oxypentanoic acid Traditional Name: 2-[[1-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-methyl-propyl]-hydroxy-phosphoryl]oxy-5-guanidino-valeric acid Formula: C27H38N5O8P MolecularWeight: 591.593081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)P(=O)(O)OC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)P(=O)(O)OC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C27H38N5O8P/c1-18(2)24(41(37,38)40-22(25(34)35)14-9-15-30-26(28)29)32-23(33)21(16-19-10-5-3-6-11-19)31-27(36)39-17-20-12-7-4-8-13-20/h3-8,10-13,18,21-22,24H,9,14-17H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)(H,37,38)(H4,28,29,30)