N-[(1S)-2-[4-(3-azanylpropylamino)butylamino]-1-methoxy-2-oxidanylidene-ethyl]-7-[bis(azanyl)methylideneamino]heptanamide

Systemtic Name: N-[(1S)-2-[4-(3-azanylpropylamino)butylamino]-1-methoxy-2-oxidanylidene-ethyl]-7-[bis(azanyl)methylideneamino]heptanamide Openeye Name: N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-methoxy-2-oxo-ethyl]-7-guanidino-heptanamide CAS Name: N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-methoxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide IUPAC Name: N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-methoxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide Traditional Name: N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-2-keto-1-methoxy-ethyl]-7-guanidino-enanthamide Formula: C18H39N7O3 MolecularWeight: 401.54736

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)NCCCCNCCCN)NC(=O)CCCCCCN=C(N)N

Isomeric SMILES

CO[C@@H](C(=O)NCCCCNCCCN)NC(=O)CCCCCCN=C(N)N

InChI

InChI=1S/C18H39N7O3/c1-28-17(16(27)23-13-7-6-11-22-12-8-10-19)25-15(26)9-4-2-3-5-14-24-18(20)21/h17,22H,2-14,19H2,1H3,(H,23,27)(H,25,26)(H4,20,21,24)/t17-/m0/s1