CAS 114376-16-8 | L-Tyrosinamide, N-[2-[[N-[N-[1-(N-acetyl-1-formyl-L-tryptophyl)-L-prolyl]-L-phenylalanyl]-L-histidyl]amino]-3-phenylpropyl]-L-phenylalanyl-L-valyl-, (S)- (9CI) | CAS Number 114376-16-8

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114376-16-8 | L-Tyrosinamide, N-[2-[[N-[N-[1-(N-acetyl-1-formyl-L-tryptophyl)-L-prolyl]-L-phenylalanyl]-L-histidyl]amino]-3-phenylpropyl]-L-phenylalanyl-L-valyl-, (S)- (9CI)

CAS No: 114376-16-8 Catalog No: AG000B6X MDL No:

Product Description

Catalog Number:

AG000B6X

Chemical Name:

L-Tyrosinamide, N-[2-[[N-[N-[1-(N-acetyl-1-formyl-L-tryptophyl)-L-prolyl]-L-phenylalanyl]-L-histidyl]amino]-3-phenylpropyl]-L-phenylalanyl-L-valyl-, (S)- (9CI)

CAS Number:

114376-16-8

Molecular Formula:

C66H76N12O10

Molecular Weight:

1197.3840

IUPAC Name:

(2S)-1-[(2S)-2-acetamido-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

InChI:

InChI=1S/C66H76N12O10/c1-41(2)59(65(87)73-52(60(67)82)31-46-25-27-50(81)28-26-46)76-61(83)53(32-44-18-9-5-10-19-44)69-37-49(30-43-16-7-4-8-17-43)72-62(84)55(35-48-36-68-39-70-48)74-63(85)54(33-45-20-11-6-12-21-45)75-64(86)58-24-15-29-78(58)66(88)56(71-42(3)80)34-47-38-77(40-79)57-23-14-13-22-51(47)57/h4-14,16-23,25-28,36,38-41,49,52-56,58-59,69,81H,15,24,29-35,37H2,1-3H3,(H2,67,82)(H,68,70)(H,71,80)(H,72,84)(H,73,87)(H,74,85)(H,75,86)(H,76,83)/t49-,52-,53-,54-,55-,56-,58-,59-/m0/s1

InChI Key:

FFSCESWJZKPQHE-XVLSDOAMSA-N

SMILES:

O=Cn1cc(c2c1cccc2)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(Cc1ccccc1)CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)C(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)C