5-[bis(azanyl)methylideneamino]-2-[[4-methyl-2-[[1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[[4-methyl-2-[[1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoic acid Openeye Name: 2-[[2-[[1-[2-(benzyloxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[4-methyl-1-oxo-2-[[oxo-[1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinyl]methyl]amino]pentyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[4-methyl-2-[[1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoic acid Traditional Name: 2-[[2-[[1-[2-(benzyloxycarbonylamino)propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C28H43N7O7 MolecularWeight: 589.68372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H43N7O7/c1-17(2)15-21(23(36)33-20(26(39)40)11-7-13-31-27(29)30)34-24(37)22-12-8-14-35(22)25(38)18(3)32-28(41)42-16-19-9-5-4-6-10-19/h4-6,9-10,17-18,20-22H,7-8,11-16H2,1-3H3,(H,32,41)(H,33,36)(H,34,37)(H,39,40)(H4,29,30,31)