2-[3-[(4S)-3,6,9,12,15,18-hexakis(oxidanylidene)-21-(phenoxymethyl)-2,5,8,11,14,17-hexazabicyclo[17.4.0]tricosa-1(19),20,22-trien-4-yl]propyl]guanidine

Systemtic Name: 2-[3-[(4S)-3,6,9,12,15,18-hexakis(oxidanylidene)-21-(phenoxymethyl)-2,5,8,11,14,17-hexazabicyclo[17.4.0]tricosa-1(19),20,22-trien-4-yl]propyl]guanidine Openeye Name: 2-[3-[(4S)-3,6,9,12,15,18-hexaoxo-21-(phenoxymethyl)-2,5,8,11,14,17-hexazabicyclo[17.4.0]tricosa-1(19),20,22-trien-4-yl]propyl]guanidine CAS Name: 2-[3-[(4S)-3,6,9,12,15,18-hexaoxo-21-(phenoxymethyl)-2,5,8,11,14,17-hexazabicyclo[17.4.0]tricosa-1(19),20,22-trien-4-yl]propyl]guanidine IUPAC Name: 2-[3-[(4S)-3,6,9,12,15,18-hexaoxo-21-(phenoxymethyl)-2,5,8,11,14,17-hexazabicyclo[17.4.0]tricosa-1(19),20,22-trien-4-yl]propyl]guanidine Traditional Name: 2-[3-[(4S)-3,6,9,12,15,18-hexaketo-21-(phenoxymethyl)-2,5,8,11,14,17-hexazabicyclo[17.4.0]tricosa-1(19),20,22-trien-4-yl]propyl]guanidine Formula: C28H35N9O7 MolecularWeight: 609.6336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NCC(=O)NC(C(=O)NC2=C(C=C(C=C2)COC3=CC=CC=C3)C(=O)NCC(=O)NCC(=O)N1)CCCN=C(N)N

Isomeric SMILES

C1C(=O)NCC(=O)N[C@H](C(=O)NC2=C(C=C(C=C2)COC3=CC=CC=C3)C(=O)NCC(=O)NCC(=O)N1)CCCN=C(N)N

InChI

InChI=1S/C28H35N9O7/c29-28(30)31-10-4-7-21-27(43)37-20-9-8-17(16-44-18-5-2-1-3-6-18)11-19(20)26(42)35-14-24(40)33-12-22(38)32-13-23(39)34-15-25(41)36-21/h1-3,5-6,8-9,11,21H,4,7,10,12-16H2,(H,32,38)(H,33,40)(H,34,39)(H,35,42)(H,36,41)(H,37,43)(H4,29,30,31)/t21-/m0/s1