N-[(4S,7S,10R)-7-[(4-aminophenyl)methyl]-10-azanyl-4-[3-[bis(azanyl)methylideneamino]propyl]-6,9,13-tris(oxidanylidene)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]naphthalene-2-carboxamide

Systemtic Name: N-[(4S,7S,10R)-7-[(4-aminophenyl)methyl]-10-azanyl-4-[3-[bis(azanyl)methylideneamino]propyl]-6,9,13-tris(oxidanylidene)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]naphthalene-2-carboxamide Openeye Name: N-[(4S,7S,10R)-10-amino-7-[(4-aminophenyl)methyl]-4-(3-guanidinopropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]naphthalene-2-carboxamide CAS Name: N-[(4S,7S,10R)-10-amino-7-[(4-aminophenyl)methyl]-4-[3-(diaminomethylideneamino)propyl]-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-naphthalenecarboxamide IUPAC Name: N-[(4S,7S,10R)-10-amino-7-[(4-aminophenyl)methyl]-4-[3-(diaminomethylideneamino)propyl]-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]naphthalene-2-carboxamide Traditional Name: N-[(4S,7S,10R)-10-amino-7-(4-aminobenzyl)-4-(3-guanidinopropyl)-6,9,13-triketo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-naphthamide Formula: C36H41N9O5 MolecularWeight: 679.76804

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(C(=O)NC(COC2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N1)CCCN=C(N)N)CC5=CC=C(C=C5)N)N

Isomeric SMILES

C1[C@H](C(=O)N[C@H](C(=O)N[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N1)CCCN=C(N)N)CC5=CC=C(C=C5)N)N

InChI

InChI=1S/C36H41N9O5/c37-25-11-7-21(8-12-25)16-30-35(49)44-27(6-3-15-41-36(39)40)20-50-31-14-13-26(18-28(31)33(47)42-19-29(38)34(48)45-30)43-32(46)24-10-9-22-4-1-2-5-23(22)17-24/h1-2,4-5,7-14,17-18,27,29-30H,3,6,15-16,19-20,37-38H2,(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,39,40,41)/t27-,29+,30-/m0/s1