(2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-2-Methylamino-3-Phenyl-N-[2-(Propan-2-Ylamino)Acetyl]Propanamide
[CAS# 156125-05-2]

Identification

• Name: (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-2-Methylamino-3-Phenyl-N-[2-(Propan-2-Ylamino)Acetyl]Propanamide
• Synonyms: (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-N-[2-(Isopropylamino)Acetyl]-2-Methylamino-3-Phenyl-Propanamide; (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]-N-[2-(Isopropylamino)-1-Oxoethyl]-2-Methylamino-3-Phenylpropanamide; (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-N-[2-(Isopropylamino)Acetyl]-2-Methylamino-3-Phenyl-Propionamide
• Molecular Formula: C₂₉H₄₀N₆O₆
• Molecular Weight: 568.67
• CAS Registry Number: 156125-05-2
• SMILES: [C@H](C(N(C(CNC(C)C)=O)C(CNC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)=O)=O)(NC)CC2=CC=CC=C2
• InChI: 1S/C29H40N6O6/c1-18(2)32-16-25(37)35(29(41)24(31-4)15-20-8-6-5-7-9-20)26(38)17-33-27(39)19(3)34-28(40)23(30)14-21-10-12-22(36)13-11-21/h5-13,18-19,23-24,31-32,36H,14-17,30H2,1-4H3,(H,33,39)(H,34,40)/t19-,23+,24+/m1/s1
• InChIKey: ODDBDWLXIVIEMG-YGOYIFOWSA-N

Properties

• Density: 1.23g/cm³ (Cal.)