(phenylmethyl) 4-[4-[[azanyl(nitramido)methylidene]amino]butylamino]-3-[8-[[azanyl(nitramido)methylidene]amino]octanoylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-[4-[[azanyl(nitramido)methylidene]amino]butylamino]-3-[8-[[azanyl(nitramido)methylidene]amino]octanoylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl 4-[4-[[amino(nitramido)methylene]amino]butylamino]-3-[8-[[amino(nitramido)methylene]amino]octanoylamino]-4-oxo-butanoate CAS Name: 4-[4-[[amino(nitramido)methylidene]amino]butylamino]-3-[[8-[[amino(nitramido)methylidene]amino]-1-oxooctyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-[[amino(nitramido)methylidene]amino]butylamino]-3-[8-[[amino(nitramido)methylidene]amino]octanoylamino]-4-oxobutanoate Traditional Name: 4-[4-[[amino(nitramido)methylene]amino]butylamino]-3-[8-[[amino(nitramido)methylene]amino]octanoylamino]-4-keto-butyric acid benzyl ester Formula: C25H40N10O8 MolecularWeight: 608.6473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)NCCCCN=C(N)N[N+](=O)[O-])NC(=O)CCCCCCCN=C(N)N[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)NCCCCN=C(N)N[N+](=O)[O-])NC(=O)CCCCCCCN=C(N)N[N+](=O)[O-]

InChI

InChI=1S/C25H40N10O8/c26-24(32-34(39)40)29-15-8-3-1-2-7-13-21(36)31-20(17-22(37)43-18-19-11-5-4-6-12-19)23(38)28-14-9-10-16-30-25(27)33-35(41)42/h4-6,11-12,20H,1-3,7-10,13-18H2,(H,28,38)(H,31,36)(H3,26,29,32)(H3,27,30,33)