An-207

Structural Information

Molecular Formula

C₉₅H₁₂₁N₁₉O₂₆

SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)CCCC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N6CCC[C@H]6C(=O)NCC(=O)N)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)O)N1CCC=C1)O

InChI

InChI=1S/C95H121N19O26/c1-48(2)35-61(87(129)107-60(19-13-31-101-94(97)98)93(135)114-34-14-20-66(114)92(134)103-44-71(96)118)108-85(127)58(106-88(130)62(36-50-24-26-53(116)27-25-50)109-91(133)65(45-115)112-89(131)63(37-51-42-102-57-17-6-5-15-54(51)57)110-90(132)64(38-52-43-99-47-104-52)111-86(128)59-28-29-73(120)105-59)18-7-8-30-100-72(119)22-12-23-74(121)138-46-70(117)95(136)40-56-77(69(41-95)140-75-39-67(80(122)49(3)139-75)113-32-9-10-33-113)84(126)79-78(82(56)124)81(123)55-16-11-21-68(137-4)76(55)83(79)125/h5-6,9,11,15-17,21,24-27,32,42-43,47-49,58-67,69,75,80,102,115-116,122,124,126,136H,7-8,10,12-14,18-20,22-23,28-31,33-41,44-46H2,1-4H3,(H2,96,118)(H,99,104)(H,100,119)(H,103,134)(H,105,120)(H,106,130)(H,107,129)(H,108,127)(H,109,133)(H,110,132)(H,111,128)(H,112,131)(H4,97,98,101)/t49-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,69-,75-,80+,95-/m0/s1

InChIKey

OIUSKDFJNIKIQX-OACKXKLTSA-N

Compound name

[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 5-[[(5R)-6-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoate

Related CIDs

• CID 16134408