(2R)-7-azanyl-N-[2-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]heptanamide

Systemtic Name: (2R)-7-azanyl-N-[2-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]heptanamide Openeye Name: (2R)-7-amino-N-[2-[[(1S)-1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]-2-(benzylsulfonylamino)heptanamide CAS Name: (2R)-7-amino-N-[2-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[(phenylmethyl)sulfonylamino]heptanamide IUPAC Name: (2R)-7-amino-N-[2-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-(benzylsulfonylamino)heptanamide Traditional Name: (2R)-7-amino-N-[2-[[(1S)-1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]amino]-2-keto-ethyl]-2-(benzylsulfonylamino)enanthamide Formula: C29H40N8O5S2 MolecularWeight: 644.8085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CCCCCN)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)N[C@H](CCCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C29H40N8O5S2/c30-16-8-2-5-13-23(37-44(41,42)19-20-10-3-1-4-11-20)27(40)34-18-25(38)35-22(14-9-17-33-29(31)32)26(39)28-36-21-12-6-7-15-24(21)43-28/h1,3-4,6-7,10-12,15,22-23,37H,2,5,8-9,13-14,16-19,30H2,(H,34,40)(H,35,38)(H4,31,32,33)/t22-,23+/m0/s1