(2R,3R)-2-[(D-Phe-L-Cys-L-Phe-D-Trp-L-Lys-L-Thr-L-Cys-)Amino]-1,3-butanediol


CAS No. : 108102-46-1

(2R,3R)-2-[(D-Phe-L-Cys-L-Phe-D-Trp-L-Lys-L-Thr-L-Cys-)Amino]-1,3-butanediol,108102-46-1
Product Details
Cat No:M005185
Molecular Formula:C49H68N10O10S2
Molecular Weight:1021.263
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Cat No:M005185
Cas No:108102-46-1
Product-Name:(2R,3R)-2-[(D-Phe-L-Cys-L-Phe-D-Trp-L-Lys-L-Thr-L-Cys-)Amino]-1,3-butanediol
IUPAC Name:(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S,3R)-1-[[(2R)-1-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexanamide
InChI:InChI=1S/C49H68N10O10S2/c1-28(61)39(25-60)56-48(68)41(27-71)58-49(69)42(29(2)62)59-44(64)36(19-11-12-20-50)53-46(66)38(23-32-24-52-35-18-10-9-17-33(32)35)55-45(65)37(22-31-15-7-4-8-16-31)54-47(67)40(26-70)57-43(63)34(51)21-30-13-5-3-6-14-30/h3-10,13-18,24,28-29,34,36-42,52,60-62,70-71H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
InChIKey:CIUSIIWVMHENRE-OULOTJBUSA-N
SMILES:CC(C(CO)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CS)NC(=O)C(CC4=CC=CC=C4)N)O
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