Kiwi tlp

Structural Information

Molecular Formula

C₁₀₁H₁₄₂N₂₄O₂₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)NCC(=O)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C101H142N24O26S/c1-13-51(6)80(121-92(142)65(40-59-29-19-15-20-30-59)111-89(139)68(43-74(103)128)112-88(138)64(39-58-27-17-14-18-28-58)115-98(148)81(56(11)126)122-83(133)52(7)102)97(147)117-70(45-76(105)130)90(140)113-69(44-75(104)129)91(141)118-71(48-152)100(150)124-37-26-36-73(124)95(145)114-66(41-60-31-21-16-22-32-60)93(143)123-82(57(12)127)99(149)119-78(49(2)3)96(146)116-67(42-61-46-106-63-34-24-23-33-62(61)63)87(137)110-54(9)85(135)108-53(8)84(134)109-55(10)86(136)120-79(50(4)5)101(151)125-38-25-35-72(125)94(144)107-47-77(131)132/h14-24,27-34,46,49-57,64-73,78-82,106,126-127,152H,13,25-26,35-45,47-48,102H2,1-12H3,(H2,103,128)(H2,104,129)(H2,105,130)(H,107,144)(H,108,135)(H,109,134)(H,110,137)(H,111,139)(H,112,138)(H,113,140)(H,114,145)(H,115,148)(H,116,146)(H,117,147)(H,118,141)(H,119,149)(H,120,136)(H,121,142)(H,122,133)(H,123,143)(H,131,132)/t51-,52-,53-,54-,55-,56+,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,78-,79-,80-,81-,82-/m0/s1

InChIKey

NFRVMBJBQMYOCM-MPNNWMPESA-N

Compound name

2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

Related CIDs

• CID 16204778