3-[2-[4-[3-[bis(azanyl)methylideneamino]propyl]-2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]ethanoylamino]-4-oxidanylidene-4-[[2-oxidanylidene-2-(phenethylamino)-1-phenyl-ethyl]amino]butanoic acid

Systemtic Name: 3-[2-[4-[3-[bis(azanyl)methylideneamino]propyl]-2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]ethanoylamino]-4-oxidanylidene-4-[[2-oxidanylidene-2-(phenethylamino)-1-phenyl-ethyl]amino]butanoic acid Openeye Name: 3-[[2-[3-benzyl-4-(3-guanidinopropyl)-2,5-dioxo-imidazolidin-1-yl]acetyl]amino]-4-oxo-4-[[2-oxo-2-(phenethylamino)-1-phenyl-ethyl]amino]butanoic acid CAS Name: 3-[[2-[4-[3-(diaminomethylideneamino)propyl]-2,5-dioxo-3-(phenylmethyl)-1-imidazolidinyl]-1-oxoethyl]amino]-4-oxo-4-[[2-oxo-2-(phenethylamino)-1-phenylethyl]amino]butanoic acid IUPAC Name: 3-[[2-[3-benzyl-4-[3-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-oxo-4-[[2-oxo-2-(phenethylamino)-1-phenylethyl]amino]butanoic acid Traditional Name: 3-[[2-[3-benzyl-4-(3-guanidinopropyl)-2,5-diketo-imidazolidin-1-yl]acetyl]amino]-4-keto-4-[[2-keto-2-(phenethylamino)-1-phenyl-ethyl]amino]butyric acid Formula: C36H42N8O7 MolecularWeight: 698.76808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(C2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)CN3C(=O)C(N(C3=O)CC4=CC=CC=C4)CCCN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(C2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)CN3C(=O)C(N(C3=O)CC4=CC=CC=C4)CCCN=C(N)N

InChI

InChI=1S/C36H42N8O7/c37-35(38)40-19-10-17-28-34(50)44(36(51)43(28)22-25-13-6-2-7-14-25)23-29(45)41-27(21-30(46)47)32(48)42-31(26-15-8-3-9-16-26)33(49)39-20-18-24-11-4-1-5-12-24/h1-9,11-16,27-28,31H,10,17-23H2,(H,39,49)(H,41,45)(H,42,48)(H,46,47)(H4,37,38,40)