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Basic information
- CAS
2456-73-7- Standard SMILES
O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
VAFNMNRKDDAKRM-NSHDSACASA-N- Molecular formula
- C14H14N2O5
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.09027155
Overview
N-(indole-3-acetyl)-L-aspartic acid is an N-acyl-L-aspartic acid in which the acyl group is specified as indole-3-acetyl. It has a role as a plant metabolite. It is a N-acyl-L-aspartic acid, an indole-L-aspartic acid conjugate and an indoleacetic acid amide conjugate. It is functionally related to an indole-3-acetic acid. It is a conjugate acid of a N-(indole-3-acetyl)-L-aspartate(2-).
Names & identifiers
- Preferred name
- Indole-3-acetyl-L-aspartic acid
- IUPAC
- (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid
Names & synonyms
2456-73-7Indole-3-acetyl-L-aspartic acidIAASPIndolyl-3-aspartic acidN-(indole-3-acetyl)-L-aspartic acidN-(indole-3-acetyl)aspartic acid5V1L30W0M7N-(indol-3-ylacetyl)aspartic acidL-aspartic acid, N-(1H-indol-3-ylacetyl)-N-(indol-3-ylacetyl)-L-aspartic acidINDOLE-3-ACETYL-ASPCHEBI:21484
Show more names
DTXSID30179298(2S)-2-((2-(1H-indol-3-yl)acetyl)amino)butanedioate(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioateRefChem:828490DTXCID60101789Indoleacetylaspartate(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid(S)-2-(2-(1H-Indol-3-yl)acetamido)succinic acid
Database identifiers
- CAS
2456-73-7- PubChem CID
- 446620
- DTXSID
DTXSID30179298- ChEBI
CHEBI:21484- UNII
- 5V1L30W0M7
- Nikkaji
- J39.031C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Chemistry & industry
Suppliers28 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
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Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
常州希辰曦生物科技有限公司13000000000 · [email protected]
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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北京汇科盈生物科技有限公司15210661751 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
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Compound notes
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