N-[(2R)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine

Systemtic Name: N-[(2R)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine Openeye Name: N-[(1R)-2-[[(1S)-5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]amino]-1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-oxo-ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; (3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine CAS Name: N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxamide; (3S)-N-methyl-3-(1-naphthalenyloxy)-3-thiophen-2-yl-1-propanamine IUPAC Name: N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine Traditional Name: N-[(1R)-2-[[(1S)-5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]amino]-1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-ethyl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; methyl-[(3S)-3-(1-naphthoxy)-3-(2-thienyl)propyl]amine Formula: C56H66Br2N10O6S MolecularWeight: 1167.05964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6

Isomeric SMILES

CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6

InChI

InChI=1S/C38H47Br2N9O5.C18H19NOS/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27;1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53);2-10,13,17,19H,11-12H2,1H3/t32-,33+;17-/m00/s1