(3S)-N-[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-[bis(azanyl)methylideneamino]-2-(2-phenylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-[bis(azanyl)methylideneamino]-2-(2-phenylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[(1S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-7-guanidino-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-7-(diaminomethylideneamino)-2-(1-oxo-2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-7-(diaminomethylideneamino)-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-2-keto-1-methylol-ethyl]-7-guanidino-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H38N10O5 MolecularWeight: 594.66532

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)N=C(N)N)C(=O)CC3=CC=CC=C3)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=C1C=CC(=C2)N=C(N)N)C(=O)CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C28H38N10O5/c29-24(41)20(7-4-10-34-27(30)31)36-25(42)21(15-39)37-26(43)22-13-17-8-9-19(35-28(32)33)12-18(17)14-38(22)23(40)11-16-5-2-1-3-6-16/h1-3,5-6,8-9,12,20-22,39H,4,7,10-11,13-15H2,(H2,29,41)(H,36,42)(H,37,43)(H4,30,31,34)(H4,32,33,35)/t20-,21-,22-/m0/s1