(2R,5S,8S,11S)-5-[3-[bis(azanyl)methylideneamino]propyl]-8-(1H-indol-3-ylmethyl)-2-(naphthalen-2-ylmethyl)-3,6,9,14-tetrakis(oxidanylidene)-1,4,7,10-tetrazacyclotetradecane-11-carboxamide

Systemtic Name: (2R,5S,8S,11S)-5-[3-[bis(azanyl)methylideneamino]propyl]-8-(1H-indol-3-ylmethyl)-2-(naphthalen-2-ylmethyl)-3,6,9,14-tetrakis(oxidanylidene)-1,4,7,10-tetrazacyclotetradecane-11-carboxamide Openeye Name: (2R,5S,8S,11S)-5-(3-guanidinopropyl)-8-(1H-indol-3-ylmethyl)-2-(2-naphthylmethyl)-3,6,9,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-11-carboxamide CAS Name: (2R,5S,8S,11S)-5-[3-(diaminomethylideneamino)propyl]-8-(1H-indol-3-ylmethyl)-2-(2-naphthalenylmethyl)-3,6,9,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-11-carboxamide IUPAC Name: (2R,5S,8S,11S)-5-[3-(diaminomethylideneamino)propyl]-8-(1H-indol-3-ylmethyl)-2-(naphthalen-2-ylmethyl)-3,6,9,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-11-carboxamide Traditional Name: (2R,5S,8S,11S)-5-(3-guanidinopropyl)-8-(1H-indol-3-ylmethyl)-3,6,9,14-tetraketo-2-(2-naphthylmethyl)-1,4,7,10-tetrazacyclotetradecane-11-carboxamide Formula: C35H41N9O5 MolecularWeight: 667.75734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1C(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C35H41N9O5/c36-31(46)26-13-14-30(45)41-28(17-20-11-12-21-6-1-2-7-22(21)16-20)33(48)43-27(10-5-15-39-35(37)38)32(47)44-29(34(49)42-26)18-23-19-40-25-9-4-3-8-24(23)25/h1-4,6-9,11-12,16,19,26-29,40H,5,10,13-15,17-18H2,(H2,36,46)(H,41,45)(H,42,49)(H,43,48)(H,44,47)(H4,37,38,39)/t26-,27-,28+,29-/m0/s1