CAS 820249-44-3 | L-Threonine, L-tyrosyl-L-alanyl-L-seryl-L-asparaginyl-L-arginyl-L-tyrosyl- | CAS Number 820249-44-3

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820249-44-3 | L-Threonine, L-tyrosyl-L-alanyl-L-seryl-L-asparaginyl-L-arginyl-L-tyrosyl-

CAS No: 820249-44-3 Catalog No: AG004XMB MDL No:

Product Description

Catalog Number:

AG004XMB

Chemical Name:

L-Threonine, L-tyrosyl-L-alanyl-L-seryl-L-asparaginyl-L-arginyl-L-tyrosyl-

CAS Number:

820249-44-3

Molecular Formula:

C38H55N11O13

Molecular Weight:

873.9092

IUPAC Name:

(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid

InChI:

InChI=1S/C38H55N11O13/c1-18(44-32(56)24(39)14-20-5-9-22(52)10-6-20)31(55)48-28(17-50)36(60)47-27(16-29(40)54)34(58)45-25(4-3-13-43-38(41)42)33(57)46-26(15-21-7-11-23(53)12-8-21)35(59)49-30(19(2)51)37(61)62/h5-12,18-19,24-28,30,50-53H,3-4,13-17,39H2,1-2H3,(H2,40,54)(H,44,56)(H,45,58)(H,46,57)(H,47,60)(H,48,55)(H,49,59)(H,61,62)(H4,41,42,43)/t18-,19+,24-,25-,26-,27-,28-,30-/m0/s1

InChI Key:

NNGTVBNEWKVXSR-SWCUZFDRSA-N

SMILES:

OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)Cc1ccc(cc1)O)CCCNC(=N)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C