NEUROKININ A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H80N14O14S
Molecular Weight	1133.321
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=CNC=N1)([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O

InChI

InChIKey=HEAUFJZALFKPBA-JPQUDPSNSA-N

InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C50H80N14O14S
Molecular Weight	1133.321
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:11:46 UTC 2023` Edited by `admin` on `Sat Dec 16 08:11:46 UTC 2023`
Record UNII	94168F9W1D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEUROKININ A

Common Name

English

NEUROKININ A (ALLIGATOR)

Common Name

English

NEUROKININ A (SWINE SPINAL CORD)

Common Name

English

KASSININ, 1-DE-L-ASPARTIC ACID-2-DE-L-VALINE-3-L-HISTIDINE-5-L-THREONINE-7-L-SERINE-

Common Name

English

NEUROKININ A (PYTHON MOLURUS)

Common Name

English

L-METHIONINAMIDE, L-HISTIDYL-L-LYSYL-L-THREONYL-L-.ALPHA.-ASPARTYL-L-SERYL-L-PHENYLALANYL-L-VALYLGLYCYL-L-LEUCYL-

Systematic Name

English

L-HISTIDYL-L-LYSYL-L-THREONYL-L-.ALPHA.-ASPARTYL-L-SERYL-L-PHENYLALANYL-L-VALYLGLYCYL-L-LEUCYL-L-METHIONINAMIDE

Systematic Name

English

Code System Code Type Description

CAS

86933-74-6

Created by admin on Sat Dec 16 08:11:46 UTC 2023 , Edited by admin on Sat Dec 16 08:11:46 UTC 2023

PRIMARY

PUBCHEM

5311311

Created by admin on Sat Dec 16 08:11:46 UTC 2023 , Edited by admin on Sat Dec 16 08:11:46 UTC 2023

PRIMARY

EPA CompTox

DTXSID701027125

Created by admin on Sat Dec 16 08:11:46 UTC 2023 , Edited by admin on Sat Dec 16 08:11:46 UTC 2023

PRIMARY

FDA UNII

94168F9W1D

Created by admin on Sat Dec 16 08:11:46 UTC 2023 , Edited by admin on Sat Dec 16 08:11:46 UTC 2023

PRIMARY