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Name: 1-[4-(pyridin-2-yl)-phenyl]-4(S)-hydroxy-2-amino-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane 3HCl

IUPAC: methyl N-[(2S,3S)-1-[[(2S,3S)-4-[amino-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;trihydrochloride

SMILES: CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(N)Cc1ccc(-c2ccccn2)cc1.Cl.Cl.Cl

Canonical SMILES: CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)N)O)NC(=O)OC.Cl.Cl.Cl

Summenformel: C30H42Cl3N5O4

Molare Masse: 643.00

InChIKey: QLYMDKSBQLIXTG-PYKLSAKJSA-N

InChI: InChI=1S/C30H39N5O4.3ClH/c1-4-21(2)28(34-30(38)39-3)29(37)33-26(18-22-10-6-5-7-11-22)27(36)20-35(31)19-23-13-15-24(16-14-23)25-12-8-9-17-32-25;;;/h5-17,21,26-28,36H,4,18-20,31H2,1-3H3,(H,33,37)(H,34,38);3*1H/t21-,26-,27-,28-;;;/m0.../s1

PubChem CID: 66577958 →

Synonyme

SCHEMBL5829QLYMDKSBQLIXTG-PYKLSAKJSA-N1-[4-(pyridin-2-yl)-phenyl]-4(S)-hydroxy-2-amino-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane 3 HCl1-[4-(pyridin-2-yl)-phenyl]-4(S)-hydroxy-2-amino-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane 3HCl

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