CAS 845527-17-5 | L-Isoleucine, L-asparaginyl-L-arginyl-L-seryl-L-threonyl-L-histidyl- | CAS Number 845527-17-5

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845527-17-5 | L-Isoleucine, L-asparaginyl-L-arginyl-L-seryl-L-threonyl-L-histidyl-

CAS No: 845527-17-5 Catalog No: AG004VGZ MDL No:

Product Description

Catalog Number:

AG004VGZ

Chemical Name:

L-Isoleucine, L-asparaginyl-L-arginyl-L-seryl-L-threonyl-L-histidyl-

CAS Number:

845527-17-5

Molecular Formula:

C29H50N12O10

Molecular Weight:

726.7817

IUPAC Name:

(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid

InChI:

InChI=1S/C29H50N12O10/c1-4-13(2)21(28(50)51)40-25(47)18(8-15-10-34-12-36-15)38-27(49)22(14(3)43)41-26(48)19(11-42)39-24(46)17(6-5-7-35-29(32)33)37-23(45)16(30)9-20(31)44/h10,12-14,16-19,21-22,42-43H,4-9,11,30H2,1-3H3,(H2,31,44)(H,34,36)(H,37,45)(H,38,49)(H,39,46)(H,40,47)(H,41,48)(H,50,51)(H4,32,33,35)/t13-,14+,16-,17-,18-,19-,21-,22-/m0/s1

InChI Key:

YWSVSIYQFIBODE-KULBDVHGSA-N

SMILES:

CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CCCNC(=N)N)CO)Cc1nc[nH]c1)C