tert-butyl N-[(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]carbamate Openeye Name: benzyl N-[N-benzyloxycarbonyl-N'-[(4S)-4-(tert-butoxycarbonylamino)-6-chloro-5-oxo-hexyl]carbamimidoyl]carbamate CAS Name: N-[(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-chloro-2-oxohexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-chloro-2-oxohexan-3-yl]carbamate Traditional Name: N-[(1S)-4-[bis(benzyloxycarbonylamino)methyleneamino]-1-(2-chloroacetyl)butyl]carbamic acid tert-butyl ester Formula: C28H35ClN4O7 MolecularWeight: 575.0531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C28H35ClN4O7/c1-28(2,3)40-27(37)31-22(23(34)17-29)15-10-16-30-24(32-25(35)38-18-20-11-6-4-7-12-20)33-26(36)39-19-21-13-8-5-9-14-21/h4-9,11-14,22H,10,15-19H2,1-3H3,(H,31,37)(H2,30,32,33,35,36)/t22-/m0/s1