(DEAMINO-PHE6, HIS7, D-ALA11, D-PRO13-PS I(CH2NH)-P


CAS No. : 142061-53-8

(DEAMINO-PHE6, HIS7, D-ALA11, D-PRO13-PS I(CH2NH)-P,142061-53-8
Product Details
Cat No:M094705
Molecular Formula:C57H72N14O8
Molecular Weight:1081.293
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Cat No:M094705
Cas No:142061-53-8
Product-Name:(DEAMINO-PHE6, HIS7, D-ALA11, D-PRO13-PS I(CH2NH)-P
IUPAC Name:(2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
InChI:InChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36+,42-,45+,46+,47+,48+,50+/m1/s1
InChIKey:XLYQOKWAPHMGLO-XVRZORJCSA-N
SMILES:CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2CNC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CN=CN6)NC(=O)CCC7=CC=CC=C7
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