CAS 827301-05-3 | L-Tryptophan, L-tyrosyl-L-tyrosyl-L-histidyl-L-methionyl- | CAS Number 827301-05-3

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827301-05-3 | L-Tryptophan, L-tyrosyl-L-tyrosyl-L-histidyl-L-methionyl-

CAS No: 827301-05-3 Catalog No: AG0050ST MDL No:

Product Description

Catalog Number:

AG0050ST

Chemical Name:

L-Tryptophan, L-tyrosyl-L-tyrosyl-L-histidyl-L-methionyl-

CAS Number:

827301-05-3

Molecular Formula:

C40H46N8O8S

Molecular Weight:

798.9070

IUPAC Name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

InChI:

InChI=1S/C40H46N8O8S/c1-57-15-14-32(37(52)48-35(40(55)56)18-25-20-43-31-5-3-2-4-29(25)31)45-39(54)34(19-26-21-42-22-44-26)47-38(53)33(17-24-8-12-28(50)13-9-24)46-36(51)30(41)16-23-6-10-27(49)11-7-23/h2-13,20-22,30,32-35,43,49-50H,14-19,41H2,1H3,(H,42,44)(H,45,54)(H,46,51)(H,47,53)(H,48,52)(H,55,56)/t30-,32-,33-,34-,35-/m0/s1

InChI Key:

MKWVGXSEWGCBRI-BLRSMAGHSA-N

SMILES:

CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)Cc1ccc(cc1)O)Cc1nc[nH]c1