(phenylmethyl) N-[3-[(3S,7E,9S,12R,15R,16S,19S)-3-acetamido-9-[[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]methyl]-15-oxidanyl-2,6,11,14,18-pentakis(oxidanylidene)-12-(phenylmethyl)-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-16-yl]propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[(3S,7E,9S,12R,15R,16S,19S)-3-acetamido-9-[[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]methyl]-15-oxidanyl-2,6,11,14,18-pentakis(oxidanylidene)-12-(phenylmethyl)-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-16-yl]propyl]carbamate Openeye Name: benzyl N-[3-[(3S,7E,9S,12R,15R,16S,19S)-3-acetamido-12-benzyl-9-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-15-hydroxy-2,6,11,14,18-pentaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-16-yl]propyl]carbamate CAS Name: N-[3-[(3S,7E,9S,12R,15R,16S,19S)-3-acetamido-9-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-15-hydroxy-2,6,11,14,18-pentaoxo-12-(phenylmethyl)-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-16-yl]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[(3S,7E,9S,12R,15R,16S,19S)-3-acetamido-12-benzyl-9-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-15-hydroxy-2,6,11,14,18-pentaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-16-yl]propyl]carbamate Traditional Name: N-[3-[(3S,7E,9S,12R,15R,16S,19S)-3-acetamido-12-benzyl-9-[4-(2,6-dichlorobenzyl)oxybenzyl]-15-hydroxy-2,6,11,14,18-pentaketo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-16-yl]propyl]carbamic acid benzyl ester Formula: C51H57Cl2N7O10 MolecularWeight: 998.94518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CNC(=O)C=CC(NC(=O)C(NC(=O)C(C(NC(=O)C2CCCN2C1=O)CCCNC(=O)OCC3=CC=CC=C3)O)CC4=CC=CC=C4)CC5=CC=C(C=C5)OCC6=C(C=CC=C6Cl)Cl

Isomeric SMILES

CC(=O)N[C@H]1CNC(=O)/C=C/[C@@H](NC(=O)[C@H](NC(=O)[C@@H]([C@@H](NC(=O)[C@@H]2CCCN2C1=O)CCCNC(=O)OCC3=CC=CC=C3)O)CC4=CC=CC=C4)CC5=CC=C(C=C5)OCC6=C(C=CC=C6Cl)Cl

InChI

InChI=1S/C51H57Cl2N7O10/c1-32(61)56-43-29-55-45(62)24-21-36(27-34-19-22-37(23-20-34)69-31-38-39(52)15-8-16-40(38)53)57-47(64)42(28-33-11-4-2-5-12-33)59-49(66)46(63)41(58-48(65)44-18-10-26-60(44)50(43)67)17-9-25-54-51(68)70-30-35-13-6-3-7-14-35/h2-8,11-16,19-24,36,41-44,46,63H,9-10,17-18,25-31H2,1H3,(H,54,68)(H,55,62)(H,56,61)(H,57,64)(H,58,65)(H,59,66)/b24-21+/t36-,41+,42-,43+,44+,46-/m1/s1