Molecule

Talaropeptide A

AlkaPlorer ID: AK147482

Synonym: None

IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Structure

SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC)C(C)C)[C@@H](C)O

InChI: InChI=1S/C65H111N11O13/c1-24-41(14)54(57(80)67-45(65(88)89)33-35(2)3)75(23)60(83)47(34-44-29-26-25-27-30-44)70(18)62(85)51(38(8)9)74(22)63(86)52(39(10)11)72(20)59(82)46-31-28-32-76(46)64(87)53(40(12)13)73(21)61(84)49(43(16)77)69-55(78)48(36(4)5)68-56(79)50(37(6)7)71(19)58(81)42(15)66-17/h25-27,29-30,35-43,45-54,66,77H,24,28,31-34H2,1-23H3,(H,67,80)(H,68,79)(H,69,78)(H,88,89)/t41-,42-,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey: XDMCELQXXFNJAG-DSFXNNMOSA-N

Reference

Talaropeptides A-D: Structure and Biosynthesis of Extensively N-methylated Linear Peptides From an Australian Marine Tunicate-Derived Talaromyces sp.

PubChem CID: 156581780

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NPAtlas: NPA030775

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Talaromyces sp.	Talaromyces	Trichocomaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 1254.6669999999988

TPSA？: 299.03000000000003

MolLogP？: 3.082000000000004

Number of H-Donors: 6

Number of H-Acceptors: 13

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi