KASSININ

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C59H95N15O18S
Molecular Weight	1334.54
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(N)=O

InChI

InChIKey=NXTPETCPVNEEOP-FJCMUPJRSA-N

InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,47-,48-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C59H95N15O18S
Molecular Weight	1334.54
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:20:39 GMT 2023` Edited by `admin` on `Sat Dec 16 08:20:39 GMT 2023`
Record UNII	9BOP147TRT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

KASSININ

Common Name

English

L-.ALPHA.-ASPARTYL-L-VALYL-L-PROLYL-L-LYSYL-L-SERYL-L-.ALPHA.-ASPARTYL-L-GLUTAMINYL-L-PHENYLALANYL-L-VALYLGLYCYL-L-LEUCYL-L-METHIONINAMIDE

Systematic Name

English

L-METHIONINAMIDE, L-.ALPHA.-ASPARTYL-L-VALYL-L-PROLYL-L-LYSYL-L-SERYL-L-.ALPHA.-ASPARTYL-L-GLUTAMINYL-L-PHENYLALANYL-L-VALYLGLYCYL-L-LEUCYL-

Systematic Name

English

Code System Code Type Description

CAS

63968-82-1