tert-butyl N-[2-[[(2R)-1-azanyl-6-[(2-methylphenyl)carbamoylamino]hexan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[(2R)-1-azanyl-6-[(2-methylphenyl)carbamoylamino]hexan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[[(1R)-1-(aminomethyl)-5-(o-tolylcarbamoylamino)pentyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[(2R)-1-amino-6-[[(2-methylanilino)-oxomethyl]amino]hexan-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[(2R)-1-amino-6-[(2-methylphenyl)carbamoylamino]hexan-2-yl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[[(1R)-1-(aminomethyl)-5-(o-tolylcarbamoylamino)pentyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H35N5O4 MolecularWeight: 421.5337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCCCCC(CN)NC(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCCCC[C@H](CN)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H35N5O4/c1-15-9-5-6-11-17(15)26-19(28)23-12-8-7-10-16(13-22)25-18(27)14-24-20(29)30-21(2,3)4/h5-6,9,11,16H,7-8,10,12-14,22H2,1-4H3,(H,24,29)(H,25,27)(H2,23,26,28)/t16-/m1/s1