(2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-[[2,5-bis(chloranyl)thiophen-3-yl]sulfonylamino]pentanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-[[2,5-bis(chloranyl)thiophen-3-yl]sulfonylamino]pentanamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[(2,5-dichloro-3-thienyl)sulfonylamino]-5-guanidino-pentanamide CAS Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2,5-dichloro-3-thiophenyl)sulfonylamino]pentanamide IUPAC Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pentanamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-[(2,5-dichloro-3-thienyl)sulfonylamino]-5-guanidino-valeramide Formula: C19H24Cl2N6O4S2 MolecularWeight: 535.46766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=C(SC(=C2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=C(SC(=C2)Cl)Cl

InChI

InChI=1S/C19H24Cl2N6O4S2/c20-15-10-14(16(21)32-15)33(30,31)27-12(7-4-8-25-19(23)24)18(29)26-13(17(22)28)9-11-5-2-1-3-6-11/h1-3,5-6,10,12-13,27H,4,7-9H2,(H2,22,28)(H,26,29)(H4,23,24,25)/t12-,13-/m0/s1