Sdpyklwasymy

Structural Information

Molecular Formula

C₇₃H₉₈N₁₄O₂₀S

SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)N

InChI

InChI=1S/C73H98N14O20S/c1-39(2)30-53(80-64(97)51(12-7-8-27-74)78-69(102)55(32-42-16-22-46(91)23-17-42)83-71(104)60-13-9-28-87(60)72(105)57(35-61(93)94)84-63(96)49(75)37-88)67(100)82-56(34-44-36-76-50-11-6-5-10-48(44)50)66(99)77-40(3)62(95)86-59(38-89)70(103)81-54(31-41-14-20-45(90)21-15-41)68(101)79-52(26-29-108-4)65(98)85-58(73(106)107)33-43-18-24-47(92)25-19-43/h5-6,10-11,14-25,36,39-40,49,51-60,76,88-92H,7-9,12-13,26-35,37-38,74-75H2,1-4H3,(H,77,99)(H,78,102)(H,79,101)(H,80,97)(H,81,103)(H,82,100)(H,83,104)(H,84,96)(H,85,98)(H,86,95)(H,93,94)(H,106,107)/t40-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

InChIKey

JXNWAVFUJMNSDM-HHJSTGSPSA-N

Compound name

(3S)-4-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16131842