CAS 123167-52-2 | L-Tyrosine, N-[N-[N-[N2-[N2-[N-[N2-(N-L-α-aspartyl-L-leucyl)-L-lysyl]-L-α-glutamyl]-L-arginyl]-L-lysyl]-L-α-aspartyl]-L-valyl]- (9CI) | CAS Number 123167-52-2

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123167-52-2 | L-Tyrosine, N-[N-[N-[N2-[N2-[N-[N2-(N-L-α-aspartyl-L-leucyl)-L-lysyl]-L-α-glutamyl]-L-arginyl]-L-lysyl]-L-α-aspartyl]-L-valyl]- (9CI)

CAS No: 123167-52-2 Catalog No: AG000K3V MDL No:

Product Description

Catalog Number:

AG000K3V

Chemical Name:

L-Tyrosine, N-[N-[N-[N2-[N2-[N-[N2-(N-L-α-aspartyl-L-leucyl)-L-lysyl]-L-α-glutamyl]-L-arginyl]-L-lysyl]-L-α-aspartyl]-L-valyl]- (9CI)

CAS Number:

123167-52-2

Molecular Formula:

C51H84N14O17

Molecular Weight:

1165.2963

IUPAC Name:

(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

InChI:

InChI=1S/C51H84N14O17/c1-26(2)22-35(62-42(73)30(54)24-39(69)70)47(78)60-31(10-5-7-19-52)43(74)61-34(17-18-38(67)68)46(77)59-33(12-9-21-57-51(55)56)44(75)58-32(11-6-8-20-53)45(76)63-36(25-40(71)72)48(79)65-41(27(3)4)49(80)64-37(50(81)82)23-28-13-15-29(66)16-14-28/h13-16,26-27,30-37,41,66H,5-12,17-25,52-54H2,1-4H3,(H,58,75)(H,59,77)(H,60,78)(H,61,74)(H,62,73)(H,63,76)(H,64,80)(H,65,79)(H,67,68)(H,69,70)(H,71,72)(H,81,82)(H4,55,56,57)/t30-,31-,32-,33-,34-,35-,36-,37-,41-/m0/s1

InChI Key:

GXPBJVNQBZKWQI-QMSQUTIVSA-N

SMILES:

NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C(C)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CC(C)C)CCCCN)CCC(=O)O)CCCNC(=N)N