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Chemical ID: 4930789

CC(C)(C(=O)NC(Cc1ccccc1)C(=O)NC(C)(C)C(=O)OC)NC(=O)OCc2ccccc2

Chemical ID:

4930789

Name [?]:

methyl 2-[2-(2-benzyloxycarbonylamino-2-methyl-propanoyl)amino-3-phenyl-propanoyl]amino-2-methyl-propanoate

SMILES [?]:

CC(C)(C(=O)NC(Cc1ccccc1)C(=O)NC(C)(C)C(=O)OC)NC(=O)OCc2ccccc2

InChi [?]:

InChI=1/C26H33N3O6/c1-25(2,29-24(33)35-17-19-14-10-7-11-15-19)22(31)27-20(16-18-12-8-6-9-13-18)21(30)28-26(3,4)23(32)34-5/h6-15,20H,16-17H2,1-5H3,(H,27,31)(H,28,30)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,3,19,20,24,12,33,11,13,32,34,10,14,31,35,8,29,9,30,7,15,4,21,26,2,18,6,17,25,16,5,22,27,23,28/E:(1,2)(3,4)(8,9)(10,11)(12,13)(14,15)/rA:35cCCCCONCCCCCCCCCONCCCCOOCNCOOCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s7;d15;s15;s17;s18;s18;s18;d21;s21;s23;s2;s25;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₃O₆
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	13.9583
Area:	740.068
Solvation:	-4.54339
Coulombic:	-98.8392

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	15
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	483.557
H-Bond Donors:	3
H-Bond Acceptors:	9
XLogP:	2.88
LogP (Chemaxon):	2.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value