CAS 161877-70-9 | L-Valinamide, N-[4-[[4-(dimethylamino)phenyl]azo]benzoyl]-L-tyrosyl-L-valyl-L-alanyl-L-α-aspartyl-L-alanyl-L-prolyl-N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]- (9CI) | CAS Number 161877-70-9

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161877-70-9 | L-Valinamide, N-[4-[[4-(dimethylamino)phenyl]azo]benzoyl]-L-tyrosyl-L-valyl-L-alanyl-L-α-aspartyl-L-alanyl-L-prolyl-N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]- (9CI)

CAS No: 161877-70-9 Catalog No: AG001VYB MDL No:

Product Description

Catalog Number:

AG001VYB

Chemical Name:

L-Valinamide, N-[4-[[4-(dimethylamino)phenyl]azo]benzoyl]-L-tyrosyl-L-valyl-L-alanyl-L-α-aspartyl-L-alanyl-L-prolyl-N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]- (9CI)

CAS Number:

161877-70-9

Molecular Formula:

C61H76N12O14S

Molecular Weight:

1233.3931

IUPAC Name:

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

InChI:

InChI=1S/C61H76N12O14S/c1-34(2)52(59(82)63-30-29-62-46-14-9-13-45-44(46)12-10-16-50(45)88(85,86)87)69-58(81)49-15-11-31-73(49)61(84)37(6)65-56(79)48(33-51(75)76)66-54(77)36(5)64-60(83)53(35(3)4)68-57(80)47(32-38-17-27-43(74)28-18-38)67-55(78)39-19-21-40(22-20-39)70-71-41-23-25-42(26-24-41)72(7)8/h9-10,12-14,16-28,34-37,47-49,52-53,62,74H,11,15,29-33H2,1-8H3,(H,63,82)(H,64,83)(H,65,79)(H,66,77)(H,67,78)(H,68,80)(H,69,81)(H,75,76)(H,85,86,87)/t36-,37-,47-,48-,49-,52-,53-/m0/s1

InChI Key:

VOOSFUAACNZZDI-BSNYRHCXSA-N

SMILES:

OC(=O)C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O)C(C)C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)Cc1ccc(cc1)O)C