(phenylmethyl) N-[[4-[2-[[(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]amino]-2-oxidanylidene-ethyl]phenyl]methyl]carbamate

Systemtic Name: (phenylmethyl) N-[[4-[2-[[(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]amino]-2-oxidanylidene-ethyl]phenyl]methyl]carbamate Openeye Name: benzyl N-[N-benzyloxycarbonyl-N'-[(4S)-4-[[2-[4-(benzyloxycarbonylaminomethyl)phenyl]acetyl]amino]-6-chloro-5-oxo-hexyl]carbamimidoyl]carbamate CAS Name: N-[[4-[2-[[(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-chloro-2-oxohexan-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[4-[2-[[(3S)-6-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-chloro-2-oxohexan-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate Traditional Name: N-[N'-[(4S)-4-[[2-[4-(benzyloxycarbonylaminomethyl)phenyl]acetyl]amino]-6-chloro-5-keto-hexyl]-N-carbobenzoxy-amidino]carbamic acid benzyl ester Formula: C40H42ClN5O8 MolecularWeight: 756.24318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)CC(=O)NC(CCCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)CC(=O)N[C@@H](CCCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=O)CCl

InChI

InChI=1S/C40H42ClN5O8/c41-24-35(47)34(44-36(48)23-29-18-20-30(21-19-29)25-43-38(49)52-26-31-11-4-1-5-12-31)17-10-22-42-37(45-39(50)53-27-32-13-6-2-7-14-32)46-40(51)54-28-33-15-8-3-9-16-33/h1-9,11-16,18-21,34H,10,17,22-28H2,(H,43,49)(H,44,48)(H2,42,45,46,50,51)/t34-/m0/s1