Nh2-lys-gly-glu-ala-met-his-gly-gln-val-asp-cys-ser-pro-gly-ile-trp-gln-leu-asp-cys-cooh

Structural Information

Molecular Formula

C₉₁H₁₄₀N₂₆O₃₀S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C91H140N26O30S3/c1-9-45(6)74(89(144)110-57(30-47-34-97-51-17-11-10-15-49(47)51)83(138)106-54(20-23-66(95)120)79(134)107-56(29-43(2)3)82(137)109-59(32-71(126)127)85(140)114-63(41-149)91(146)147)115-69(123)38-100-87(142)64-18-14-27-117(64)90(145)61(39-118)112-86(141)62(40-148)113-84(139)60(33-72(128)129)111-88(143)73(44(4)5)116-81(136)52(19-22-65(94)119)103-68(122)37-99-77(132)58(31-48-35-96-42-101-48)108-80(135)55(25-28-150-8)105-75(130)46(7)102-78(133)53(21-24-70(124)125)104-67(121)36-98-76(131)50(93)16-12-13-26-92/h10-11,15,17,34-35,42-46,50,52-64,73-74,97,118,148-149H,9,12-14,16,18-33,36-41,92-93H2,1-8H3,(H2,94,119)(H2,95,120)(H,96,101)(H,98,131)(H,99,132)(H,100,142)(H,102,133)(H,103,122)(H,104,121)(H,105,130)(H,106,138)(H,107,134)(H,108,135)(H,109,137)(H,110,144)(H,111,143)(H,112,141)(H,113,139)(H,114,140)(H,115,123)(H,116,136)(H,124,125)(H,126,127)(H,128,129)(H,146,147)/t45-,46-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,73-,74-/m0/s1

InChIKey

DYVYCKXPPMPJET-ZUCPZEKQSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16728933