(3S,14S)-1-(naphthalen-2-ylmethyl)-2,5,8-tris(oxidanylidene)-3-(phenylmethyl)-1,4,9-triazacyclotetradecane-14-carboxamide

Systemtic Name: (3S,14S)-1-(naphthalen-2-ylmethyl)-2,5,8-tris(oxidanylidene)-3-(phenylmethyl)-1,4,9-triazacyclotetradecane-14-carboxamide Openeye Name: (3S,14S)-3-benzyl-1-(2-naphthylmethyl)-2,5,8-trioxo-1,4,9-triazacyclotetradecane-14-carboxamide CAS Name: (3S,14S)-1-(2-naphthalenylmethyl)-2,5,8-trioxo-3-(phenylmethyl)-1,4,9-triazacyclotetradecane-14-carboxamide IUPAC Name: (3S,14S)-3-benzyl-1-(naphthalen-2-ylmethyl)-2,5,8-trioxo-1,4,9-triazacyclotetradecane-14-carboxamide Traditional Name: (3S,14S)-3-benzyl-2,5,8-triketo-1-(2-naphthylmethyl)-1,4,9-triazacyclotetradecane-14-carboxamide Formula: C30H34N4O4 MolecularWeight: 514.61536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)CCC(=O)NC(C(=O)N(C(C1)C(=O)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)CCC(=O)N[C@H](C(=O)N([C@@H](C1)C(=O)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C30H34N4O4/c31-29(37)26-12-6-7-17-32-27(35)15-16-28(36)33-25(19-21-8-2-1-3-9-21)30(38)34(26)20-22-13-14-23-10-4-5-11-24(23)18-22/h1-5,8-11,13-14,18,25-26H,6-7,12,15-17,19-20H2,(H2,31,37)(H,32,35)(H,33,36)/t25-,26-/m0/s1