(Q105156400)

English

(14S,17S,20R,23R)-14-amino-17-[(2S)-butan-2-yl]-9,32-dihydroxy-15,18,21-trioxo-2-oxa-16,19,22-triazapentacyclo[23.2.2.13,7.15,20.18,12]dotriaconta-1(27),3,5,7(32),8,10,12(31),25,28-nonaene-23-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic cyclopeptide

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mass

616.253314112 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₃₆N₄O₈

0 references

canonical SMILES

CCC(C)C1NC(=O)C(N)Cc2ccc(O)c(c2)-c2cc3cc(c2O)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C(C3)NC1=O

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isomeric SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@@H](N)Cc2ccc(O)c(c2)-c2cc3cc(c2O)Oc2ccc(cc2)C[C@H](C(=O)O)NC(=O)[C@@H](C3)NC1=O

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found in taxon

Streptomyces

1 reference

stated in

Isolation of RP 66453, a new secondary peptide metabolite from Streptomyces sp. useful as a lead for neurotensin antagonists.

Identifiers

InChI

InChI=1S/C33H36N4O8/c1-3-16(2)28-32(42)35-24-14-19-11-22(21-10-18(6-9-26(21)38)12-23(34)30(40)37-28)29(39)27(15-19)45-20-7-4-17(5-8-20)13-25(33(43)44)36-31(24)41/h4-11,15-16,23-25,28,38-39H,3,12-14,34H2,1-2H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t16-,23-,24+,25+,28-/m0/s1

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InChIKey

LRYMXYNLAMRRTH-KKHBZOHTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LRYMXYNLAMRRTH-KKHBZOHTSA-N

(Q105156400)

(14S,17S,20R,23R)-14-amino-17-[(2S)-butan-2-yl]-9,32-dihydroxy-15,18,21-trioxo-2-oxa-16,19,22-triazapentacyclo[23.2.2.13,7.15,20.18,12]dotriaconta-1(27),3,5,7(32),8,10,12(31),25,28-nonaene-23-carboxylic acid

Statements

Identifiers

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