(3S)-3-[[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl]-3-[[(2S)-1 -[(2S)-2-[[(2S)-2-[[(2S)-3-ca


CAS No. : 134599-16-9

(3S)-3-[[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl]-3-[[(2S)-1 -[(2S)-2-[[(2S)-2-[[(2S)-3-ca,134599-16-9
Product Details
Cat No:M107036
Molecular Formula:C47H61N11O14
Molecular Weight:1004.068
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Cat No:M107036
Cas No:134599-16-9
Product-Name:(3S)-3-[[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl]-3-[[(2S)-1 -[(2S)-2-[[(2S)-2-[[(2S)-3-ca
IUPAC Name:(3S)-4-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[(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-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
InChI:InChI=1S/C47H61N11O14/c1-23(2)16-31(53-41(66)29-13-14-38(62)51-29)42(67)55-33(19-37(48)61)44(69)54-32(17-24-9-11-26(60)12-10-24)43(68)57-35(22-59)47(72)58-15-5-8-36(58)46(71)56-34(20-39(63)64)45(70)52-30(40(49)65)18-25-21-50-28-7-4-3-6-27(25)28/h3-4,6-7,9-12,21,23,29-36,50,59-60H,5,8,13-20,22H2,1-2H3,(H2,48,61)(H2,49,65)(H,51,62)(H,52,70)(H,53,66)(H,54,69)(H,55,67)(H,56,71)(H,57,68)(H,63,64)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKey:HLCQDPIFDXVYDA-VTGDPKQBSA-N
SMILES:CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)C5CCC(=O)N5
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