6-azanyl-2-[[2-[2-[[2-[[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[1-oxidanylidene-1-[(1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]hexanamide

Systemtic Name: 6-azanyl-2-[[2-[2-[[2-[[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[1-oxidanylidene-1-[(1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]hexanamide Openeye Name: 6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-N-[1-benzyl-2-[(1-benzyl-2-oxo-ethyl)amino]-2-oxo-ethyl]hexanamide CAS Name: 6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]hexanamide IUPAC Name: 6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]hexanamide Traditional Name: 6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-(glycylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-N-[1-benzyl-2-[(1-benzyl-2-keto-ethyl)amino]-2-keto-ethyl]hexanamide Formula: C55H78N16O9 MolecularWeight: 1107.30962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)NC(=O)C(CC4=CN=CN4)NC(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)CC(C=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)NC(=O)C(CC4=CN=CN4)NC(=O)CN

InChI

InChI=1S/C55H78N16O9/c56-24-12-10-21-42(52(78)71-45(29-38-19-8-3-9-20-38)53(79)65-40(34-72)27-36-15-4-1-5-16-36)68-50(76)41(23-14-26-62-55(59)60)66-48(74)33-63-49(75)44(28-37-17-6-2-7-18-37)70-51(77)43(22-11-13-25-57)69-54(80)46(67-47(73)31-58)30-39-32-61-35-64-39/h1-9,15-20,32,34-35,40-46H,10-14,21-31,33,56-58H2,(H,61,64)(H,63,75)(H,65,79)(H,66,74)(H,67,73)(H,68,76)(H,69,80)(H,70,77)(H,71,78)(H4,59,60,62)