(2S)-N-tert-butyl-1-[(2S,4S)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide; N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine

Systemtic Name: (2S)-N-tert-butyl-1-[(2S,4S)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide; N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine Openeye Name: (2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide; N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine CAS Name: (2S)-N-tert-butyl-1-[(2S,4S)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide; N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine IUPAC Name: (2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide; 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine Traditional Name: (2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide; 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine Formula: C54H73ClN8O4 MolecularWeight: 933.66162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5

InChI

InChI=1S/C36H47N5O4.C18H26ClN3/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t28-,29-,31-,32+,33-;/m0./s1