Schembl29356625

Structural Information

Molecular Formula

C₁₆₅H₂₄₃N₄₁O₅₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN

InChI

InChI=1S/C165H243N41O51S/c1-20-87(18)135(161(253)196-109(62-94-70-171-78-178-94)149(241)199-117(76-258)155(247)194-113(66-130(225)226)153(245)201-133(85(14)15)159(251)202-134(86(16)17)160(252)204-136(88(19)208)162(254)183-97(34-27-49-172-165(168)169)137(229)174-71-122(213)173-72-123(214)181-116(75-207)154(246)190-108(61-93-69-170-77-177-93)148(240)188-102(54-81(6)7)142(234)189-106(57-89-30-23-21-24-31-89)146(238)191-110(63-120(167)211)150(242)198-115(164(256)257)60-90-32-25-22-26-33-90)203-157(249)119-36-29-51-206(119)163(255)114(67-131(227)228)197-145(237)105(58-91-37-41-95(209)42-38-91)180-124(215)73-175-156(248)118-35-28-50-205(118)125(216)74-176-138(230)111(64-128(221)222)192-143(235)103(55-82(8)9)186-141(233)101(53-80(4)5)187-147(239)107(59-92-39-43-96(210)44-40-92)195-158(250)132(84(12)13)200-152(244)104(56-83(10)11)185-140(232)99(46-48-127(219)220)182-151(243)112(65-129(223)224)193-144(236)100(52-79(2)3)184-139(231)98(45-47-126(217)218)179-121(212)68-166/h21-26,30-33,37-44,69-70,77-88,97-119,132-136,207-210,258H,20,27-29,34-36,45-68,71-76,166H2,1-19H3,(H2,167,211)(H,170,177)(H,171,178)(H,173,213)(H,174,229)(H,175,248)(H,176,230)(H,179,212)(H,180,215)(H,181,214)(H,182,243)(H,183,254)(H,184,231)(H,185,232)(H,186,233)(H,187,239)(H,188,240)(H,189,234)(H,190,246)(H,191,238)(H,192,235)(H,193,236)(H,194,247)(H,195,250)(H,196,253)(H,197,237)(H,198,242)(H,199,241)(H,200,244)(H,201,245)(H,202,251)(H,203,249)(H,204,252)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,256,257)(H4,168,169,172)/t87-,88+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,132-,133-,134-,135-,136-/m0/s1

InChIKey

FFDCXHNENGBCAG-ODEUDWAGSA-N

Compound name

(4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71597578