C14unlinkmid

Structural Information

Molecular Formula

C₉₄H₁₃₅N₂₃O₂₉S

SMILES

CCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)NCCC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)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

InChI

InChI=1S/C94H135N23O29S/c1-8-36-99-70(122)29-25-59(108-87(140)66(42-52-46-103-57-19-14-12-17-55(52)57)114-93(146)79(49(6)119)117-86(139)63(35-39-147-7)104-72(124)31-34-75(129)130)82(135)106-61(27-32-73(125)126)84(137)111-65(41-51-45-102-56-18-13-11-16-54(51)56)88(141)113-68(44-76(131)132)90(143)105-58(20-15-38-101-94(97)98)81(134)107-62(28-33-74(127)128)85(138)115-77(47(4)10-3)92(145)109-60(26-30-71(123)100-37-9-2)83(136)112-67(43-69(95)121)89(142)110-64(40-50-21-23-53(120)24-22-50)91(144)116-78(48(5)118)80(96)133/h11-14,16-19,21-24,45-49,58-68,77-79,102-103,118-120H,8-10,15,20,25-44H2,1-7H3,(H2,95,121)(H2,96,133)(H,99,122)(H,100,123)(H,104,124)(H,105,143)(H,106,135)(H,107,134)(H,108,140)(H,109,145)(H,110,142)(H,111,137)(H,112,136)(H,113,141)(H,114,146)(H,115,138)(H,116,144)(H,117,139)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H4,97,98,101)/t47-,48+,49+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,77-,78-,79-/m0/s1

InChIKey

AMICUKZMVSBKIP-SUNJNINOSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(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]amino]-1,5-dioxo-5-(propylamino)pentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-(3-carboxypropanoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-5-(propylamino)pentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131496