Fdemeecsqhlpya

Structural Information

Molecular Formula

C₇₃H₁₀₃N₁₇O₂₆S₂

SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C73H103N17O26S2/c1-36(2)27-51(72(114)90-25-8-11-54(90)71(113)86-48(66(108)78-37(3)73(115)116)29-39-12-14-41(92)15-13-39)87-67(109)49(30-40-32-76-35-77-40)85-63(105)43(16-20-55(75)93)82-69(111)52(33-91)88-70(112)53(34-117)89-64(106)46(19-23-58(98)99)79-61(103)44(17-21-56(94)95)80-65(107)47(24-26-118-4)83-62(104)45(18-22-57(96)97)81-68(110)50(31-59(100)101)84-60(102)42(74)28-38-9-6-5-7-10-38/h5-7,9-10,12-15,32,35-37,42-54,91-92,117H,8,11,16-31,33-34,74H2,1-4H3,(H2,75,93)(H,76,77)(H,78,108)(H,79,103)(H,80,107)(H,81,110)(H,82,111)(H,83,104)(H,84,102)(H,85,105)(H,86,113)(H,87,109)(H,88,112)(H,89,106)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,115,116)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey

COAMEKZLVWCEHJ-DJNOJBAYSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186500