874580-29-7
CARBAMIC ACID, N-[(1S)-1-[[[(1S)-1-[[(3-ISOQUINOLINYLCARBONYL)AMINO]METHYL]-2-METHYLPROPYL]AMINO]CARBONYL]-2-METHYLPROPYL]-, 1-METHYLETHYL ESTER
Name
CARBAMIC ACID, N-[(1S)-1-[[[(1S)-1-[[(3-ISOQUINOLINYLCARBONYL)AMINO]METHYL]-2-METHYLPROPYL]AMINO]CARBONYL]-2-METHYLPROPYL]-, 1-METHYLETHYL ESTER
Formula
C24H34N4O4
MolWeight
442.557
1Identification
【Name】
CARBAMIC ACID, N-[(1S)-1-[[[(1S)-1-[[(3-ISOQUINOLINYLCARBONYL)AMINO]METHYL]-2-METHYLPROPYL]AMINO]CARBONYL]-2-METHYLPROPYL]-, 1-METHYLETHYL ESTER
【CAS】
【MDL】
MFCD17018440
【English Synonyms】
【Formula】
C24H34N4O4
【MolWeight】
442.557
【Inchi】
InChI=1S/C24H34N4O4/c1-14(2)20(27-23(30)21(15(3)4)28-24(31)32-16(5)6)13-26-22(29)19-11-17-9-7-8-10-18(17)12-25-19/h7-12,14-16,20-21H,13H2,1-6H3,(H,26,29)(H,27,30)(H,28,31)/t20-,21+/m1/s1
【InChIKey】
InChIKey=PUPYGEIVCZGSTI-RTWAWAEBSA-N
【SMILES】
C1=NC(=CC2=CC=CC=C12)C(=O)NC[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(OC(C)C)=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:3.6432
Bulk/Fine:F