Gelgrlvylldgpgydpihcdvvtrggshlfnf

Structural Information

Molecular Formula

C₁₆₄H₂₄₆N₄₄O₄₇S

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](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN

InChI

InChI=1S/C164H246N44O47S/c1-20-88(18)134(159(251)198-110(63-95-70-172-79-181-95)148(240)201-117(77-256)153(245)196-113(66-129(224)225)151(243)203-132(86(14)15)157(249)204-133(87(16)17)158(250)206-135(89(19)210)160(252)186-98(35-27-49-173-163(167)168)136(228)176-71-122(215)175-72-123(216)185-116(76-209)152(244)193-109(62-94-69-171-78-180-94)147(239)191-103(55-82(6)7)142(234)192-107(58-90-31-23-21-24-32-90)145(237)194-111(64-120(166)213)149(241)200-115(162(254)255)61-91-33-25-22-26-34-91)205-155(247)119-38-30-52-208(119)161(253)114(67-130(226)227)199-144(236)106(59-92-39-43-96(211)44-40-92)184-125(218)74-178-154(246)118-37-29-51-207(118)126(219)75-179-138(230)112(65-128(222)223)195-143(235)104(56-83(8)9)189-141(233)102(54-81(4)5)190-146(238)108(60-93-41-45-97(212)46-42-93)197-156(248)131(85(12)13)202-150(242)105(57-84(10)11)188-139(231)99(36-28-50-174-164(169)170)183-124(217)73-177-137(229)101(53-80(2)3)187-140(232)100(47-48-127(220)221)182-121(214)68-165/h21-26,31-34,39-46,69-70,78-89,98-119,131-135,209-212,256H,20,27-30,35-38,47-68,71-77,165H2,1-19H3,(H2,166,213)(H,171,180)(H,172,181)(H,175,215)(H,176,228)(H,177,229)(H,178,246)(H,179,230)(H,182,214)(H,183,217)(H,184,218)(H,185,216)(H,186,252)(H,187,232)(H,188,231)(H,189,233)(H,190,238)(H,191,239)(H,192,234)(H,193,244)(H,194,237)(H,195,235)(H,196,245)(H,197,248)(H,198,251)(H,199,236)(H,200,241)(H,201,240)(H,202,242)(H,203,243)(H,204,249)(H,205,247)(H,206,250)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,254,255)(H4,167,168,173)(H4,169,170,174)/t88-,89+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,131-,132-,133-,134-,135-/m0/s1

InChIKey

XNMRRTKUIFYZQA-PKPGFQDSSA-N

Compound name

(4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[[2-[[(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]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71588139