(2R)-N-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-3-(1-carbamimidoylpiperidin-3-yl)-2-[(phenylmethyl)sulfonylamino]propanamide

Systemtic Name: (2R)-N-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-3-(1-carbamimidoylpiperidin-3-yl)-2-[(phenylmethyl)sulfonylamino]propanamide Openeye Name: (2R)-2-(benzylsulfonylamino)-3-(1-carbamimidoyl-3-piperidyl)-N-[2-[[(1S)-1-formyl-4-guanidino-butyl]amino]-2-oxo-ethyl]propanamide CAS Name: (2R)-3-(1-carbamimidoyl-3-piperidinyl)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[(phenylmethyl)sulfonylamino]propanamide IUPAC Name: (2R)-2-(benzylsulfonylamino)-3-(1-carbamimidoylpiperidin-3-yl)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide Traditional Name: (2R)-3-(1-amidino-3-piperidyl)-2-(benzylsulfonylamino)-N-[2-[[(1S)-1-formyl-4-guanidino-butyl]amino]-2-keto-ethyl]propionamide Formula: C24H39N9O5S MolecularWeight: 565.68876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C=O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CC(CN(C1)C(=N)N)C[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C=O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C24H39N9O5S/c25-23(26)29-10-4-9-19(15-34)31-21(35)13-30-22(36)20(12-18-8-5-11-33(14-18)24(27)28)32-39(37,38)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,32H,4-5,8-14,16H2,(H3,27,28)(H,30,36)(H,31,35)(H4,25,26,29)/t18?,19-,20+/m0/s1