(3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]({[(9H-fluoren-9-yl)methoxy]carbonyl})amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | C40H40N2O7 | 2171283-08-0 | CCOC(=O)[C@H](CCC1=CC=CC=C1)N([C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12 | CSC102950605, EN300-1556295 | Chemspace

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Home CSMB00102950605

Structure Info

Chemspace ID: CSMB00102950605 (Enamine MADE)

CAS: 2171283-08-0

IUPAC Name: (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]({[(9H-fluoren-9-yl)methoxy]carbonyl})amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Mol formula: C₄₀H₄₀N₂O₇

Mol weight: 661 Da

Catalog Number(s): CSC102950605, EN300-1556295

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Properties
SDS

Properties

LogP: 7.01

Heavy atoms count: 49

Rotatable bond count: 13

Number of rings: 6

Carbon bond saturation, Fsp3: 0.3

Polar surface area (Å): 113

Hydrogen bond acceptors count: 5

Hydrogen bond donors count: 1

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