(2S)-2-Amino-N-[(2R)-1-[[2-[[(2S)-4-Chloro-3-Oxo-1-Phenylbutan-2-Yl]-Methylamino]Acetyl]Amino]-1-Oxopropan-2-Yl]-3-(4-Hydroxyphenyl)Propanamide
[CAS# 109377-04-0]

Identification

• Name: (2S)-2-Amino-N-[(2R)-1-[[2-[[(2S)-4-Chloro-3-Oxo-1-Phenylbutan-2-Yl]-Methylamino]Acetyl]Amino]-1-Oxopropan-2-Yl]-3-(4-Hydroxyphenyl)Propanamide
• Synonyms: (2S)-2-Amino-N-[(1R)-2-[[2-[[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]-Methyl-Amino]Acetyl]Amino]-1-Methyl-2-Oxo-Ethyl]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-Amino-N-[(1R)-2-[[2-[[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]-Methylamino]-1-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-Amino-N-[(1R)-2-[[2-[[(1S)-1-(Benzyl)-3-Chloro-2-Keto-Propyl]-Methyl-Amino]Acetyl]Amino]-2-Keto-1-Methyl-Ethyl]-3-(4-Hydroxyphenyl)Propionamide
• Molecular Formula: C₂₅H₃₁ClN₄O₅
• Molecular Weight: 503.00
• CAS Registry Number: 109377-04-0
• SMILES: [C@@H](N(CC(=O)NC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)C)(C(CCl)=O)CC2=CC=CC=C2
• InChI: 1S/C25H31ClN4O5/c1-16(28-25(35)20(27)12-18-8-10-19(31)11-9-18)24(34)29-23(33)15-30(2)21(22(32)14-26)13-17-6-4-3-5-7-17/h3-11,16,20-21,31H,12-15,27H2,1-2H3,(H,28,35)(H,29,33,34)/t16-,20+,21+/m1/s1
• InChIKey: LYYBTOIPJYEMFB-CZAAIQMYSA-N