(2R)-4-azanyl-N-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-(1,3-oxazol-2-yl)-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]butanamide

Systemtic Name: (2R)-4-azanyl-N-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-(1,3-oxazol-2-yl)-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]butanamide Openeye Name: (2R)-4-amino-2-(benzylsulfonylamino)-N-[2-[[(1S)-4-guanidino-1-(oxazole-2-carbonyl)butyl]amino]-2-oxo-ethyl]butanamide CAS Name: (2R)-4-amino-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-(2-oxazolyl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[(phenylmethyl)sulfonylamino]butanamide IUPAC Name: (2R)-4-amino-2-(benzylsulfonylamino)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-(1,3-oxazol-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]butanamide Traditional Name: (2R)-4-amino-2-(benzylsulfonylamino)-N-[2-[[(1S)-4-guanidino-1-(oxazole-2-carbonyl)butyl]amino]-2-keto-ethyl]butyramide Formula: C22H32N8O6S MolecularWeight: 536.60448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CCN)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)C2=NC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)N[C@H](CCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)C2=NC=CO2

InChI

InChI=1S/C22H32N8O6S/c23-9-8-17(30-37(34,35)14-15-5-2-1-3-6-15)20(33)28-13-18(31)29-16(7-4-10-27-22(24)25)19(32)21-26-11-12-36-21/h1-3,5-6,11-12,16-17,30H,4,7-10,13-14,23H2,(H,28,33)(H,29,31)(H4,24,25,27)/t16-,17+/m0/s1