3-[3-[4-[3-[bis(azanyl)methylideneamino]propyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]propanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[3-[4-[3-[bis(azanyl)methylideneamino]propyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]propanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[3-[4-(3-guanidinopropyl)-2,5-dioxo-imidazolidin-1-yl]propanoylamino]propanoic acid CAS Name: 3-[[3-[4-[3-(diaminomethylideneamino)propyl]-2,5-dioxo-1-imidazolidinyl]-1-oxopropyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[3-[4-[3-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]propanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[3-[4-(3-guanidinopropyl)-2,5-diketo-imidazolidin-1-yl]propanoylamino]propionic acid Formula: C21H29N7O7 MolecularWeight: 491.49766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)CCN2C(=O)C(NC2=O)CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)CCN2C(=O)C(NC2=O)CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C21H29N7O7/c22-19(23)24-9-4-7-14-17(30)28(20(33)26-14)10-8-16(29)25-11-15(18(31)32)27-21(34)35-12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,25,29)(H,26,33)(H,27,34)(H,31,32)(H4,22,23,24)