CAS 146340-20-7 | L-Histidine, L-tyrosylglycyl-L-valyl-L-tyrosyl-L-threonyl-L-lysyl-L-valyl-L-seryl-L-arginyl-L-tyrosyl-L-leucyl-L-α-aspartyl-L-tryptophyl-L-isoleucyl- (9CI) | CAS Number 146340-20-7

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146340-20-7 | L-Histidine, L-tyrosylglycyl-L-valyl-L-tyrosyl-L-threonyl-L-lysyl-L-valyl-L-seryl-L-arginyl-L-tyrosyl-L-leucyl-L-α-aspartyl-L-tryptophyl-L-isoleucyl- (9CI)

CAS No: 146340-20-7 Catalog No: AG001DXQ MDL No:

Product Description

Catalog Number:

AG001DXQ

Chemical Name:

L-Histidine, L-tyrosylglycyl-L-valyl-L-tyrosyl-L-threonyl-L-lysyl-L-valyl-L-seryl-L-arginyl-L-tyrosyl-L-leucyl-L-α-aspartyl-L-tryptophyl-L-isoleucyl- (9CI)

CAS Number:

146340-20-7

Molecular Formula:

C91H130N22O23

Molecular Weight:

1900.1395

IUPAC Name:

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

InChI:

InChI=1S/C91H130N22O23/c1-10-49(8)75(88(133)108-69(90(135)136)39-55-42-96-45-100-55)112-84(129)67(38-54-41-98-61-17-12-11-16-59(54)61)105-82(127)68(40-72(120)121)106-80(125)64(34-46(2)3)103-81(126)65(36-52-22-28-57(117)29-23-52)104-78(123)63(19-15-33-97-91(94)95)101-85(130)70(44-114)109-87(132)74(48(6)7)111-79(124)62(18-13-14-32-92)102-89(134)76(50(9)115)113-83(128)66(37-53-24-30-58(118)31-25-53)107-86(131)73(47(4)5)110-71(119)43-99-77(122)60(93)35-51-20-26-56(116)27-21-51/h11-12,16-17,20-31,41-42,45-50,60,62-70,73-76,98,114-118H,10,13-15,18-19,32-40,43-44,92-93H2,1-9H3,(H,96,100)(H,99,122)(H,101,130)(H,102,134)(H,103,126)(H,104,123)(H,105,127)(H,106,125)(H,107,131)(H,108,133)(H,109,132)(H,110,119)(H,111,124)(H,112,129)(H,113,128)(H,120,121)(H,135,136)(H4,94,95,97)/t49-,50+,60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-,74-,75-,76-/m0/s1

InChI Key:

ZWIJLOHGIXGMAB-AFKMJAFNSA-N

SMILES:

NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[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)Cc1c[nH]cn1)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)CO)C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N