C14linkmid

Structural Information

Molecular Formula

C₉₃H₁₃₁N₂₃O₂₉S

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCCNC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CCCNC(=N)N)CC(=O)O)CC2=CNC3=CC=CC=C32)CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N

InChI

InChI=1S/C93H131N23O29S/c1-6-46(2)76-91(144)108-59(82(135)111-66(42-68(94)120)88(141)109-63(39-49-20-22-52(119)23-21-49)90(143)115-77(47(3)117)79(95)132)25-29-70(122)99-36-13-7-12-35-98-69(121)28-24-58(107-86(139)65(41-51-45-102-56-18-11-9-16-54(51)56)113-92(145)78(48(4)118)116-85(138)62(34-38-146-5)103-71(123)30-33-74(128)129)81(134)105-60(26-31-72(124)125)83(136)110-64(40-50-44-101-55-17-10-8-15-53(50)55)87(140)112-67(43-75(130)131)89(142)104-57(19-14-37-100-93(96)97)80(133)106-61(84(137)114-76)27-32-73(126)127/h8-11,15-18,20-23,44-48,57-67,76-78,101-102,117-119H,6-7,12-14,19,24-43H2,1-5H3,(H2,94,120)(H2,95,132)(H,98,121)(H,99,122)(H,103,123)(H,104,142)(H,105,134)(H,106,133)(H,107,139)(H,108,144)(H,109,141)(H,110,136)(H,111,135)(H,112,140)(H,113,145)(H,114,137)(H,115,143)(H,116,138)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H4,96,97,100)/t46-,47+,48+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,76-,77-,78-/m0/s1

InChIKey

ZTGOYKNJENAPBQ-VJSQLBPRSA-N

Compound name

4-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,5S,8S,11S,14S,17S,20S,34S)-20-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17-[(2S)-butan-2-yl]-11-(3-carbamimidamidopropyl)-2,14-bis(2-carboxyethyl)-8-(carboxymethyl)-5-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,23,31,35-nonaoxo-1,4,7,10,13,16,19,24,30-nonazacyclopentatriacont-34-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16131495