(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3- yl)propanoyl]amino]-4-carbamo


CAS No. : 138168-63-5

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3- yl)propanoyl]amino]-4-carbamo,138168-63-5
Product Details
Cat No:M108876
Molecular Formula:C49H66N14O13
Molecular Weight:1059.152
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Cat No:M108876
Cas No:138168-63-5
Product-Name:(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3- yl)propanoyl]amino]-4-carbamo
IUPAC Name:(3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
InChI:InChI=1S/C49H66N14O13/c1-23(2)15-34(47(74)62-36(18-39(52)65)46(73)57-25(4)44(71)56-22-40(66)58-33(42(53)69)16-26-20-54-30-11-7-5-9-28(26)30)61-49(76)37(19-41(67)68)63-45(72)32(13-14-38(51)64)59-48(75)35(60-43(70)24(3)50)17-27-21-55-31-12-8-6-10-29(27)31/h5-12,20-21,23-25,32-37,54-55H,13-19,22,50H2,1-4H3,(H2,51,64)(H2,52,65)(H2,53,69)(H,56,71)(H,57,73)(H,58,66)(H,59,75)(H,60,70)(H,61,76)(H,62,74)(H,63,72)(H,67,68)/t24-,25-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKey:CSOIWTCLMCXLJE-QUNUXEEMSA-N
SMILES:CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)N
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