VAPREOTIDE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H70N12O9S2.C2H4O2
Molecular Weight	1191.423
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C56)C(N)=O)NC(=O)[C@H](N)CC7=CC=CC=C7

InChI

InChIKey=KBIZSMHYSQUHDH-NCACADTJSA-N

InChI=1S/C57H70N12O9S2.C2H4O2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58;1-2(3)4/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73);1H3,(H,3,4)/t40-,43+,44+,45+,46-,47+,48+,49+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C57H70N12O9S2
Molecular Weight	1131.371
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
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 `Fri Dec 15 15:56:22 UTC 2023` Edited by `admin` on `Fri Dec 15 15:56:22 UTC 2023`
Record UNII	5562377HFV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VAPREOTIDE ACETATE

Official Name

English

L-TRYPTOPHANAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-VALYL-L-CYSTEINYL-, CYCLIC (2->7)-DISULFIDE, MONOACETATE (SALT)

Systematic Name

English

OCTASTATIN ACETATE

Common Name

English

VAPREOTIDE ACETATE [USAN]

Common Name

English

DP-05-094

Code

English

RC-160 ACETATE

Code

English

DOCRISED

Brand Name

English

VAPREOTIDE MONOACETATE

Common Name

English

VAPREOTIDE ACETATE [MI]

Common Name

English

SANVAR

Brand Name

English

L-TRYPTOPHANAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-VALYL-L-CYSTEINYL-, CYCLIC (2->7)-DISULFIDE, ACETATE (SALT)

Systematic Name

English

BMY-41606 ACETATE

Code

English

Vapreotide acetate [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62799