(2r,3s)-4-[[(2s,3s)-3-amino-2-[[(z)-2-[[2-[[(4z,6e)-2,3-dihydroxy-2,6,8-trimethylnona-4,6-dienoyl]amino]acetyl]amino]but-2-enoyl]amino]butanoyl]amino]-n'-[(9s,15r,18r,19r,24s)-24-chloro-6-[(1r)-1-hydroxyethyl]-3-[(r)-(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-7,9-dimethyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide

Structural Information

Molecular Formula

C₆₅H₁₀₀ClN₁₃O₂₀

SMILES

C/C=C(/C(=O)N[C@@H]([C@H](C)N)C(=O)NC([C@@H](C)[C@@H](C)C(=O)N)C(=O)N[C@@H]1[C@H](OC(=O)C2C[C@H](CCN2C(=O)C(NC(=O)C(N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC1=O)COC)C)C)[C@@H](C)O)[C@@H](C3=CC=C(C=C3)O)OC)Cl)C(C)C)\NC(=O)CNC(=O)C(C)(C(/C=C\C(=C\C(C)C)\C)O)O

InChI

InChI=1S/C65H100ClN13O20/c1-16-41(72-46(84)28-70-64(95)65(12,96)44(82)22-17-32(6)25-30(2)3)56(87)75-48(35(9)67)58(89)74-47(33(7)34(8)54(68)85)57(88)76-49-52(31(4)5)99-63(94)43-26-39(66)23-24-79(43)62(93)50(53(98-15)38-18-20-40(81)21-19-38)77-60(91)51(37(11)80)78(13)61(92)36(10)71-45(83)27-69-55(86)42(29-97-14)73-59(49)90/h16-22,25,30-31,33-37,39,42-44,47-53,80-82,96H,23-24,26-29,67H2,1-15H3,(H2,68,85)(H,69,86)(H,70,95)(H,71,83)(H,72,84)(H,73,90)(H,74,89)(H,75,87)(H,76,88)(H,77,91)/b22-17-,32-25+,41-16-/t33-,34+,35-,36-,37+,39-,42+,43?,44?,47?,48-,49+,50?,51?,52+,53+,65?/m0/s1

InChIKey

GDINPVCKBFCNEC-HLJAQKNVSA-N

Compound name

(2R,3S)-4-[[(2S,3S)-3-amino-2-[[(Z)-2-[[2-[[(4Z,6E)-2,3-dihydroxy-2,6,8-trimethylnona-4,6-dienoyl]amino]acetyl]amino]but-2-enoyl]amino]butanoyl]amino]-N'-[(9S,15R,18R,19R,24S)-24-chloro-6-[(1R)-1-hydroxyethyl]-3-[(R)-(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-7,9-dimethyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide

Related CIDs

• CID 176457078