NASTORAZEPIDE CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C29H35N4O5.Ca
Molecular Weight	1079.302
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C[C@@H](NC(=O)NC3=CC(=CC=C3)C([O-])=O)C1=O)C4CCCCC4.CC(C)(C)C(=O)CN5C6=CC=CC=C6N(C[C@@H](NC(=O)NC7=CC(=CC=C7)C([O-])=O)C5=O)C8CCCCC8

InChI

InChIKey=DLRNGUKRKXEPEL-LJWMURKVSA-L

InChI=1S/2C29H36N4O5.Ca/c2*1-29(2,3)25(34)18-33-24-15-8-7-14-23(24)32(21-12-5-4-6-13-21)17-22(26(33)35)31-28(38)30-20-11-9-10-19(16-20)27(36)37;/h2*7-11,14-16,21-22H,4-6,12-13,17-18H2,1-3H3,(H,36,37)(H2,30,31,38);/q;;+2/p-2/t2*22-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C29H35N4O5
Molecular Weight	519.612
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:31:20 UTC 2023` Edited by `admin` on `Sat Dec 16 10:31:20 UTC 2023`
Record UNII	GZ3I1DMI8Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NASTORAZEPIDE CALCIUM

Common Name

English

NASTORAZEPIDE HEMICALCIUM

Common Name

English

(R)-3-(3-(5-CYCLOHEXYL-1-(3,3-DIMETHYL-2-OXOBUTYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO(B)(1,4)DIAZEPIN-3-YL)UREIDO)BENZOIC ACID

Systematic Name

English

Z-360

Common Name

English

R-(-)-Z-360

Common Name

English

BENZOIC ACID, 3-(((((3R)-5-CYCLOHEXYL-1-(3,3-DIMETHYL-2-OXOBUTYL)-2,3,4,5-TETRAHYDRO-2-OXO-1H-1,5-BENZODIAZEPIN-3-YL)AMINO)CARBONYL)AMINO)-, CALCIUM SALT (2:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129824