K-e-t-w-e-t-w-w-d-n-y-w-q-v-t-w-v-p-e-w-e

Structural Information

Molecular Formula

C₁₄₃H₁₈₁N₃₁O₃₇S

SMILES

C[C@H]([C@@H](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](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C143H181N31O37S/c1-70(2)118(139(207)173-122(74(7)177)142(210)168-107(61-81-69-154-95-35-19-13-28-88(81)95)137(205)170-119(71(3)4)143(211)174-53-22-36-110(174)138(206)159-98(43-48-114(183)184)125(193)161-102(56-76-64-149-90-30-14-8-23-83(76)90)130(198)156-96(42-47-113(181)182)124(192)148-52-54-212)169-126(194)97(41-46-111(146)179)157-131(199)103(57-77-65-150-91-31-15-9-24-84(77)91)162-129(197)101(55-75-37-39-82(178)40-38-75)160-135(203)108(62-112(147)180)164-136(204)109(63-117(189)190)165-133(201)104(58-78-66-151-92-32-16-10-25-85(78)92)163-134(202)106(60-80-68-153-94-34-18-12-27-87(80)94)167-141(209)121(73(6)176)172-128(196)100(45-50-116(187)188)158-132(200)105(59-79-67-152-93-33-17-11-26-86(79)93)166-140(208)120(72(5)175)171-127(195)99(44-49-115(185)186)155-123(191)89(145)29-20-21-51-144/h8-19,23-28,30-35,37-40,64-74,89,96-110,118-122,149-154,175-178,212H,20-22,29,36,41-63,144-145H2,1-7H3,(H2,146,179)(H2,147,180)(H,148,192)(H,155,191)(H,156,198)(H,157,199)(H,158,200)(H,159,206)(H,160,203)(H,161,193)(H,162,197)(H,163,202)(H,164,204)(H,165,201)(H,166,208)(H,167,209)(H,168,210)(H,169,194)(H,170,205)(H,171,195)(H,172,196)(H,173,207)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)/t72-,73-,74-,89+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,118+,119+,120+,121+,122+/m1/s1

InChIKey

HKZFDAPIPDGRCE-WXXWNUFMSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130588