(2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(6S,9R)-6-(1H-indol-3-ylmethyl)-2,5,8-tris(oxidanylidene)-1,4,7-triazacyclotridec-9-yl]propanamide

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(6S,9R)-6-(1H-indol-3-ylmethyl)-2,5,8-tris(oxidanylidene)-1,4,7-triazacyclotridec-9-yl]propanamide Openeye Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(6S,9R)-6-(1H-indol-3-ylmethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]propanamide CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(6S,9R)-6-(1H-indol-3-ylmethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]propanamide IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(6S,9R)-6-(1H-indol-3-ylmethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]propanamide Traditional Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(6S,9R)-6-(1H-indol-3-ylmethyl)-2,5,8-triketo-1,4,7-triazacyclotridec-9-yl]propionamide Formula: C28H34N6O5 MolecularWeight: 534.60676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)CNC(=O)C(NC(=O)C(C1)NC(=O)C(CC2=CC=C(C=C2)O)N)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](C1)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H34N6O5/c29-21(13-17-8-10-19(35)11-9-17)26(37)33-23-7-3-4-12-30-25(36)16-32-27(38)24(34-28(23)39)14-18-15-31-22-6-2-1-5-20(18)22/h1-2,5-6,8-11,15,21,23-24,31,35H,3-4,7,12-14,16,29H2,(H,30,36)(H,32,38)(H,33,37)(H,34,39)/t21-,23+,24-/m0/s1