(2S)-N-[(1S)-1-[[(2S)-1-[(2S)-2-[[(1S)-2-carbamoyl-1-[[(1S)-1-carbamoy l-2-(1H-indol-3-yl)ethyl]carb


CAS No. : 129612-52-8

(2S)-N-[(1S)-1-[[(2S)-1-[(2S)-2-[[(1S)-2-carbamoyl-1-[[(1S)-1-carbamoy l-2-(1H-indol-3-yl)ethyl]carb,129612-52-8
Product Details
Cat No:M107842
Molecular Formula:C47H62N12O12
Molecular Weight:987.085
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Cat No:M107842
Cas No:129612-52-8
Product-Name:(2S)-N-[(1S)-1-[[(2S)-1-[(2S)-2-[[(1S)-2-carbamoyl-1-[[(1S)-1-carbamoy l-2-(1H-indol-3-yl)ethyl]carb
IUPAC Name:(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]butanediamide
InChI:InChI=1S/C47H62N12O12/c1-24(2)17-31(54-41(65)29-14-15-39(63)52-29)42(66)56-33(20-37(48)61)45(69)55-32(18-25-9-4-3-5-10-25)43(67)58-35(23-60)47(71)59-16-8-13-36(59)46(70)57-34(21-38(49)62)44(68)53-30(40(50)64)19-26-22-51-28-12-7-6-11-27(26)28/h3-7,9-12,22,24,29-36,51,60H,8,13-21,23H2,1-2H3,(H2,48,61)(H2,49,62)(H2,50,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,70)(H,58,67)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKey:RSRUMIVKQHSEGP-VTGDPKQBSA-N
SMILES:CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CC(=O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)C5CCC(=O)N5
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