F-k-l-p-i-q-k-e-t-w-e-t-w-w-t-e

Structural Information

Molecular Formula

C₁₀₅H₁₄₉N₂₃O₂₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCS)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC8=CC=CC=C8)N

InChI

InChI=1S/C105H149N23O26S/c1-8-56(4)86(124-100(149)81-33-22-45-128(81)105(154)80(47-55(2)3)123-93(142)71(31-18-20-42-106)114-90(139)67(108)48-60-23-10-9-11-24-60)101(150)119-74(34-38-82(109)132)94(143)115-72(32-19-21-43-107)92(141)116-75(36-40-84(135)136)95(144)125-88(58(6)130)103(152)121-77(49-61-52-111-68-28-15-12-25-64(61)68)97(146)117-76(37-41-85(137)138)96(145)126-89(59(7)131)104(153)122-78(50-62-53-112-69-29-16-13-26-65(62)69)98(147)120-79(51-63-54-113-70-30-17-14-27-66(63)70)99(148)127-87(57(5)129)102(151)118-73(35-39-83(133)134)91(140)110-44-46-155/h9-17,23-30,52-59,67,71-81,86-89,111-113,129-131,155H,8,18-22,31-51,106-108H2,1-7H3,(H2,109,132)(H,110,140)(H,114,139)(H,115,143)(H,116,141)(H,117,146)(H,118,151)(H,119,150)(H,120,147)(H,121,152)(H,122,153)(H,123,142)(H,124,149)(H,125,144)(H,126,145)(H,127,148)(H,133,134)(H,135,136)(H,137,138)/t56-,57+,58+,59+,67-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-,87-,88-,89-/m0/s1

InChIKey

LWJUMKXACYEPQV-IEYDOFSJSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-carboxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130583