(2S)-6-[[(4R)-4-[(3R,5R,10S,13R,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]-2-(Phenylmethoxycarbonylamino)Hexanoic Acid
[CAS# 104211-96-3]

Identification

• Name: (2S)-6-[[(4R)-4-[(3R,5R,10S,13R,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]-2-(Phenylmethoxycarbonylamino)Hexanoic Acid
• Synonyms: (2S)-6-[[(4R)-4-[(3R,5R,10S,13R,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Hexanoic Acid; (2S)-2-(Benzyloxycarbonylamino)-6-[[(4R)-4-[(3R,5R,10S,13R,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Hexanoic Acid; Cbz-E-Lcl
• Molecular Formula: C₃₈H₅₈N₂O₆
• Molecular Weight: 638.89
• CAS Registry Number: 104211-96-3
• SMILES: [C@H](C(=O)O)(NC(=O)OCC1=CC=CC=C1)CCCCNC(CC[C@H]([C@@H]4CCC5C3CC[C@@H]2C[C@@H](CC[C@@]2(C3CC[C@]45C)C)O)C)=O
• InChI: 1S/C38H58N2O6/c1-25(30-15-16-31-29-14-13-27-23-28(41)18-20-37(27,2)32(29)19-21-38(30,31)3)12-17-34(42)39-22-8-7-11-33(35(43)44)40-36(45)46-24-26-9-5-4-6-10-26/h4-6,9-10,25,27-33,41H,7-8,11-24H2,1-3H3,(H,39,42)(H,40,45)(H,43,44)/t25-,27-,28-,29?,30+,31?,32?,33+,37+,38-/m1/s1
• InChIKey: XIVDICBERWSPRK-TXJNDFRHSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 812.493°C at 760 mmHg (Cal.)
• Flash point: 445.18°C (Cal.)