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Chemical ID: 6692752

Cc1cc(=O)oc2c1ccc(c2)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)OCc3ccccc3

Chemical ID:

6692752

Name [?]:

benzyl [4-guanidino-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]butyl]carbamoylmethylcarbamoylmethylaminoformate

SMILES [?]:

Cc1cc(=O)oc2c1ccc(c2)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)OCc3ccccc3

InChi [?]:

InChI=1/C28H33N7O7/c1-17-12-25(38)42-22-13-19(9-10-20(17)22)34-26(39)21(8-5-11-31-27(29)30)35-24(37)15-32-23(36)14-33-28(40)41-16-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,21H,5,8,11,14-16H2,1H3,(H,32,36)(H,33,40)(H,34,39)(H,35,37)(H4,29,30,31)

InChi Info:

AuxInfo=1/1/N:1,40,39,41,18,38,42,17,10,9,19,3,12,31,27,36,2,37,11,8,16,7,29,25,4,14,21,33,22,23,20,28,32,13,24,30,26,5,15,34,35,6/E:(3,4)(6,7)(29,30)/rA:42cCCCCOOCCCCCCNCOCCCCNCNNNCOCNCOCNCOOCCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;s19;s20;w21;s21;s16;s24;d25;s25;s27;s28;d29;s29;s31;s32;d33;s33;s35;s36;s37;d38;s39;d40;d37s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₃N₇O₇
All Atoms:	42
Heavy Atoms:	42
Chiral Atoms:	1

ZAP Information [?]

Total:	15.3634
Area:	922.989
Solvation:	-7.71132
Coulombic:	-153.375

Bond Count [?]

All:	44
Single:	31
Double:	13
Rotors:	19
Chiral:	1
Rigid Segments:	13

Chemical Properties

Molecular Weight:	579.605
H-Bond Donors:	8
H-Bond Acceptors:	13
XLogP:	1.21
LogP (Chemaxon):	-0.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value