(2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(6S,12R)-5,8,11-tris(oxidanylidene)-1,6-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridec-12-yl]propanamide

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(6S,12R)-5,8,11-tris(oxidanylidene)-1,6-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridec-12-yl]propanamide Openeye Name: (2S)-2-amino-N-[(6S,12R)-1,6-dibenzyl-5,8,11-trioxo-1,4,7,10-tetrazacyclotridec-12-yl]-3-(4-hydroxyphenyl)propanamide CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(6S,12R)-5,8,11-trioxo-1,6-bis(phenylmethyl)-1,4,7,10-tetrazacyclotridec-12-yl]propanamide IUPAC Name: (2S)-2-amino-N-[(6S,12R)-1,6-dibenzyl-5,8,11-trioxo-1,4,7,10-tetrazacyclotridec-12-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: (2S)-2-amino-N-[(6S,12R)-1,6-dibenzyl-5,8,11-triketo-1,4,7,10-tetrazacyclotridec-12-yl]-3-(4-hydroxyphenyl)propionamide Formula: C32H38N6O5 MolecularWeight: 586.68132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)CC4=CC=CC=C4

InChI

InChI=1S/C32H38N6O5/c33-26(17-23-11-13-25(39)14-12-23)30(41)37-28-21-38(20-24-9-5-2-6-10-24)16-15-34-31(42)27(18-22-7-3-1-4-8-22)36-29(40)19-35-32(28)43/h1-14,26-28,39H,15-21,33H2,(H,34,42)(H,35,43)(H,36,40)(H,37,41)/t26-,27-,28+/m0/s1