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(2S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamide

(2S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamide

CAS: 870153-29-0

Formula: C24H32N4O6

SMILES: COC1=C2C=C(NC2=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO

IUPAC: (2S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamide

InChI: InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 472.542

Atom Count: 66

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 472.232184766
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 5
InChIKey QDIMHKWNHMVDJB-WBAXXEDZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.62
Topological Polar Surface Area 149.62
Polarizability 49.09
Ring Count 3
Rotatable Bond Count 11

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