3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[7-(5-guanidinopentyl)-2,5-dioxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[7-(5-guanidinopentyl)-2,5-diketo-1-(3-phenoxybenzyl)-3H-1,4-benzodiazepin-4-yl]propionic acid Formula: C31H35N5O5 MolecularWeight: 557.6401

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN=C(N)N)C(=O)N1CCC(=O)O)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN=C(N)N)C(=O)N1CCC(=O)O)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C31H35N5O5/c32-31(33)34-16-6-2-3-8-22-13-14-27-26(19-22)30(40)35(17-15-29(38)39)21-28(37)36(27)20-23-9-7-12-25(18-23)41-24-10-4-1-5-11-24/h1,4-5,7,9-14,18-19H,2-3,6,8,15-17,20-21H2,(H,38,39)(H4,32,33,34)