2-[4-[13-hexan-2-yl-6-methyl-2,5,8,11-tetrakis(oxidanylidene)-3-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridec-9-yl]butyl]-1,1-dipropyl-guanidine

Systemtic Name: 2-[4-[13-hexan-2-yl-6-methyl-2,5,8,11-tetrakis(oxidanylidene)-3-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridec-9-yl]butyl]-1,1-dipropyl-guanidine Openeye Name: 2-[4-[3-benzyl-6-methyl-13-(1-methylpentyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]butyl]-1,1-dipropyl-guanidine CAS Name: 2-[4-[13-hexan-2-yl-6-methyl-2,5,8,11-tetraoxo-3-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridec-9-yl]butyl]-1,1-dipropylguanidine IUPAC Name: 2-[4-(3-benzyl-13-hexan-2-yl-6-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl)butyl]-1,1-dipropylguanidine Traditional Name: 2-[4-[3-benzyl-2,5,8,11-tetraketo-6-methyl-13-(1-methylpentyl)-1-oxa-4,7,10-triazacyclotridec-9-yl]butyl]-1,1-dipropyl-guanidine Formula: C34H56N6O5 MolecularWeight: 628.84564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC2=CC=CC=C2)C)CCCCN=C(N)N(CCC)CCC

Isomeric SMILES

CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC2=CC=CC=C2)C)CCCCN=C(N)N(CCC)CCC

InChI

InChI=1S/C34H56N6O5/c1-6-9-15-24(4)29-23-30(41)38-27(18-13-14-19-36-34(35)40(20-7-2)21-8-3)32(43)37-25(5)31(42)39-28(33(44)45-29)22-26-16-11-10-12-17-26/h10-12,16-17,24-25,27-29H,6-9,13-15,18-23H2,1-5H3,(H2,35,36)(H,37,43)(H,38,41)(H,39,42)