[(3R)-3-[[(2R)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] acetate

Update Time: 2025-04-25 16:33:36

	Common Name	[(3R)-3-[[(2R)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] acetate	English Name	[(3R)-3-[[(2R)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] acetate
	CAS NO.	N/A	Molecular Weight	514.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₃₄N₄O₇	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[(3R)-3-[[(2R)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] acetate

Molecular Formula	C26H34N4O7
Molecular Weight	514.6
Exact Mass	514.24274944
LogP	2.20
Standard SMILES	COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3=O)C(=O)COC(C)=O)cc12
Canonical SMILES	CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)COC(=O)C)NC(=O)C2=CC3=C(N2)C=CC=C3OC
Isomeric SMILES	CC(C)C[C@H](C(=O)N[C@H](CC1CCNC1=O)C(=O)COC(=O)C)NC(=O)C2=CC3=C(N2)C=CC=C3OC
Standard InChI Identifier	InChI=1S/C26H34N4O7/c1-14(2)10-20(30-26(35)21-12-17-18(28-21)6-5-7-23(17)36-4)25(34)29-19(22(32)13-37-15(3)31)11-16-8-9-27-24(16)33/h5-7,12,14,16,19-20,28H,8-11,13H2,1-4H3,(H,27,33)(H,29,34)(H,30,35)/t16?,19-,20-/m1/s1
Standard InChI Key	NIPDSEFWCRXTSR-ODFWGIBRSA-N
Compound Complexity	864.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：4 Rotatable Bond Count：13 Heavy Atom Count：37 Total Chiral Atom Count：3 Defined Chiral Atom Count：2 Undefined Chiral Atom Count：1 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：514.24274944