Tspyedwqtylm

Structural Information

Molecular Formula

C₇₀H₉₆N₁₄O₂₃S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)N)O

InChI

InChI=1S/C70H96N14O23S/c1-34(2)27-47(61(97)76-46(70(106)107)24-26-108-5)77-63(99)49(29-38-14-18-41(89)19-15-38)81-68(104)58(36(4)87)83-60(96)44(20-22-54(71)90)74-64(100)50(30-39-32-73-43-10-7-6-9-42(39)43)78-65(101)51(31-56(93)94)79-59(95)45(21-23-55(91)92)75-62(98)48(28-37-12-16-40(88)17-13-37)80-66(102)53-11-8-25-84(53)69(105)52(33-85)82-67(103)57(72)35(3)86/h6-7,9-10,12-19,32,34-36,44-53,57-58,73,85-89H,8,11,20-31,33,72H2,1-5H3,(H2,71,90)(H,74,100)(H,75,98)(H,76,97)(H,77,99)(H,78,101)(H,79,95)(H,80,102)(H,81,104)(H,82,103)(H,83,96)(H,91,92)(H,93,94)(H,106,107)/t35-,36-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,57+,58+/m1/s1

InChIKey

KPCAWXPYAKXHJG-YPVODQKJSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131839