(Q105002720)

English

(2S)-2-[[(3R,4E)-1-[(2S)-6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid

group of stereoisomers with the chemical formula C₃₁H₄₅N₇O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

595.34821754 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₅N₇O₅

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canonical SMILES

CC=C1CN(C(=O)C(CCCCNC(=N)N)NC(=O)CC(C)C)C(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)C1C

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isomeric SMILES

C/C=C1/CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)CC(C)C)C(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)[C@@H]1C

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found in taxon

Nocardiopsis lucentensis

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stated in

Lucentamycins A-D, cytotoxic peptides from the marine-derived actinomycete Nocardiopsis lucentensis.

Identifiers

InChI

InChI=1S/C31H45N7O5/c1-5-20-17-38(29(41)24(36-26(39)14-18(2)3)12-8-9-13-34-31(32)33)27(19(20)4)28(40)37-25(30(42)43)15-21-16-35-23-11-7-6-10-22(21)23/h5-7,10-11,16,18-19,24-25,27,35H,8-9,12-15,17H2,1-4H3,(H,36,39)(H,37,40)(H,42,43)(H4,32,33,34)/b20-5-/t19-,24+,25+,27?/m1/s1

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InChIKey

FVSHJVLTICYBGI-RGSNETFKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FVSHJVLTICYBGI-RGSNETFKSA-N

ChEBI ID

216055

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C31H45N7O5/c1-5-20-17-38(29(41)24(36-26(39)14-18(2)3)12-8-9-13-34-31(32)33)27(19(20)4)28(40)37-25(30(42)43)15-21-16-35-23-11-7-6-10-22(21)23/h5-7,10-11,16,18-19,24-25,27,35H,8-9,12-15,17H2,1-4H3,(H,36,39)(H,37,40)(H,42,43)(H4,32,33,34)/b20-5-/t19-,24+,25+,27?/m1/s1

1 reference

Natural Product Atlas ID

NPA010840

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FVSHJVLTICYBGI-RGSNETFKSA-N

(Q105002720)

(2S)-2-[[(3R,4E)-1-[(2S)-6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid

Statements

Identifiers

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