[[(2r)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]-(2-amino-2-oxo-ethyl)-chloro-hexahydroxy-pentaoxo-[?]carboxylic acid

Structural Information

Molecular Formula

C₅₇H₅₀ClN₉O₁₇

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)N[C@@H]3[C@@H](C4=CC(=C(C=C4)OC5=CC6=CC(=C5O)OC7=CC=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O)C1=C(C=CC(=C1)[C@H](C(=O)N8)NC(=O)[C@@H]6NC(=O)[C@@H](NC3=O)CC(=O)N)O)C(=O)O)O)Cl)O)N

InChI

InChI=1S/C57H50ClN9O17/c58-32-14-24-8-12-38(32)84-40-17-25-16-39(50(40)74)83-28-9-5-22(6-10-28)48(72)46-56(80)65-45(57(81)82)31-18-27(68)19-37(70)42(31)30-13-23(7-11-36(30)69)43(53(77)67-46)64-54(78)44(25)63-52(76)35(20-41(60)71)62-55(79)47(49(24)73)66-51(75)33(59)15-26-21-61-34-4-2-1-3-29(26)34/h1-14,16-19,21,33,35,43-49,61,68-70,72-74H,15,20,59H2,(H2,60,71)(H,62,79)(H,63,76)(H,64,78)(H,65,80)(H,66,75)(H,67,77)(H,81,82)/t33-,35+,43-,44-,45+,46+,47-,48-,49-/m1/s1

InChIKey

CRELRRBQUWZSNO-XOJLQQQDSA-N

Compound name

(1S,2R,18R,19R,22S,25R,28R,40S)-19-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxylic acid

Related CIDs

• CID 16133718