(2S)-N-[2-[[4-(acridin-9-ylamino)phenyl]amino]ethanoyl]-6-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]hexanamide

Systemtic Name: (2S)-N-[2-[[4-(acridin-9-ylamino)phenyl]amino]ethanoyl]-6-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]hexanamide Openeye Name: (2S)-N-[2-[4-(acridin-9-ylamino)anilino]acetyl]-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]hexanamide CAS Name: (2S)-N-[2-[4-(9-acridinylamino)anilino]-1-oxoethyl]-6-amino-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]hexanamide IUPAC Name: (2S)-N-[2-[4-(acridin-9-ylamino)anilino]acetyl]-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]hexanamide Traditional Name: (2S)-N-[2-[4-(acridin-9-ylamino)anilino]acetyl]-6-amino-2-[[(2S)-2-(glycylamino)-3-(4H-imidazol-4-yl)propanoyl]amino]hexanamide Formula: C35H40N10O4 MolecularWeight: 664.7567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NCC(=O)NC(=O)C(CCCCN)NC(=O)C(CC5C=NC=N5)NC(=O)CN

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NCC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5C=NC=N5)NC(=O)CN

InChI

InChI=1S/C35H40N10O4/c36-16-6-5-11-29(44-35(49)30(43-31(46)18-37)17-24-19-38-21-40-24)34(48)45-32(47)20-39-22-12-14-23(15-13-22)41-33-25-7-1-3-9-27(25)42-28-10-4-2-8-26(28)33/h1-4,7-10,12-15,19,21,24,29-30,39H,5-6,11,16-18,20,36-37H2,(H,41,42)(H,43,46)(H,44,49)(H,45,47,48)/t24?,29-,30-/m0/s1