L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine

HCID 439487CAS 66701-25-5

기본 정보

표준 SMILES: CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N
InChIKey: LTLYEAJONXGNFG-HBNTYKKESA-N
분자식: C15H27N5O5
평균 분자량: 357.41 g/mol
단동위원소 질량: 357.20121896

이름 및 식별자

우선 이름: L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine
IUPAC: (2R,3R)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

이름 및 동의어

L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatineRefChem:798150613-978-4e-64trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butaneMLS000069547CHEMBL1458713(2R,3R)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acidSMR000058838(2R,3R)-3-[[(1S)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acidC15H27N5O5Lopac-E-3132

이름 더 보기

E-64, protease inhibitorMLS002153455SCHEMBL871993cid_439487SCHEMBL13523481BDBM12042BDBM35493LTLYEAJONXGNFG-HBNTYKKESA-N

데이터베이스 식별자

CAS: 66701-25-5
PubChem CID: 439487
DTXSID: DTXSID90985271
ChEMBL: CHEMBL1458713、CHEMBL374508
EC Number: 613-978-4

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 172 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 6
회전 가능 결합 수: 11
무거운 원자 수: 25
형식 전하: 0
복잡도: 518

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H371 (25%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]

P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSTOT SE 2 (25%)

연결된 노트

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