Chembl383932

Structural Information

Molecular Formula

C₆₀H₈₀N₁₈O₁₉

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C60H80N18O19/c61-18-4-3-7-38(71-54(91)40(14-17-50(86)87)72-57(94)43(21-32-25-65-28-68-32)75-55(92)39(13-16-49(84)85)70-52(89)36(62)12-15-48(82)83)53(90)74-42(19-30-8-10-34(80)11-9-30)56(93)76-44(22-33-26-66-29-69-33)58(95)78-46(27-79)60(97)77-45(23-47(63)81)59(96)73-41(51(64)88)20-31-24-67-37-6-2-1-5-35(31)37/h1-2,5-6,8-11,24-26,28-29,36,38-46,67,79-80H,3-4,7,12-23,27,61-62H2,(H2,63,81)(H2,64,88)(H,65,68)(H,66,69)(H,70,89)(H,71,91)(H,72,94)(H,73,96)(H,74,90)(H,75,92)(H,76,93)(H,77,97)(H,78,95)(H,82,83)(H,84,85)(H,86,87)/t36-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1

InChIKey

GVRLKWXWONIZAK-ZBUNYTFHSA-N

Compound name

(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186557