Ac-crikqiinmw qevgkamyap pisgqirc-nh2

Structural Information

Molecular Formula

C₁₄₄H₂₃₆N₄₂O₃₇S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C144H236N42O37S4/c1-18-73(8)112(180-126(207)89(38-30-58-157-144(154)155)167-133(214)101(71-225)163-80(15)188)136(217)172-87(36-26-28-56-146)121(202)168-92(47-51-106(149)192)129(210)182-116(77(12)22-5)140(221)184-115(76(11)21-4)138(219)176-98(65-107(150)193)132(213)171-95(54-62-227-17)125(206)175-97(64-82-66-158-85-34-24-23-33-84(82)85)131(212)170-91(46-50-105(148)191)123(204)169-93(48-52-110(196)197)128(209)179-111(72(6)7)135(216)160-68-109(195)164-86(35-25-27-55-145)120(201)161-78(13)118(199)166-94(53-61-226-16)124(205)174-96(63-81-41-43-83(189)44-42-81)130(211)162-79(14)141(222)186-60-32-40-103(186)142(223)185-59-31-39-102(185)134(215)183-114(75(10)20-3)139(220)177-99(69-187)119(200)159-67-108(194)165-90(45-49-104(147)190)127(208)181-113(74(9)19-2)137(218)173-88(37-29-57-156-143(152)153)122(203)178-100(70-224)117(151)198/h23-24,33-34,41-44,66,72-79,86-103,111-116,158,187,189,224-225H,18-22,25-32,35-40,45-65,67-71,145-146H2,1-17H3,(H2,147,190)(H2,148,191)(H2,149,192)(H2,150,193)(H2,151,198)(H,159,200)(H,160,216)(H,161,201)(H,162,211)(H,163,188)(H,164,195)(H,165,194)(H,166,199)(H,167,214)(H,168,202)(H,169,204)(H,170,212)(H,171,213)(H,172,217)(H,173,218)(H,174,205)(H,175,206)(H,176,219)(H,177,220)(H,178,203)(H,179,209)(H,180,207)(H,181,208)(H,182,210)(H,183,215)(H,184,221)(H,196,197)(H4,152,153,156)(H4,154,155,157)/t73-,74-,75-,76-,77-,78-,79-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-,112-,113-,114-,115-,116-/m0/s1

InChIKey

MONMDPVZXQYANC-QTDMBURPSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204873