Yqntrqrtpiglgqslyttrsrsiigqahc

Structural Information

Molecular Formula

C₁₄₀H₂₂₉N₄₉O₄₅S

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C140H229N49O45S/c1-16-63(8)103(183-128(225)94-20-19-45-189(94)135(232)109(70(15)196)188-120(217)84(40-44-159-140(153)154)170-115(212)80(32-36-98(145)202)169-117(214)82(38-42-157-138(149)150)172-132(229)106(67(12)193)185-124(221)89(51-99(146)203)177-116(213)79(31-35-97(144)201)168-111(208)76(141)48-71-21-25-74(197)26-22-71)129(226)162-55-102(206)167-85(46-61(4)5)112(209)160-53-100(204)166-78(30-34-96(143)200)114(211)178-91(57-191)126(223)175-86(47-62(6)7)121(218)176-87(49-72-23-27-75(198)28-24-72)123(220)186-108(69(14)195)134(231)187-107(68(13)194)133(230)173-83(39-43-158-139(151)152)119(216)179-90(56-190)125(222)171-81(37-41-156-137(147)148)118(215)180-92(58-192)127(224)182-105(65(10)18-3)131(228)184-104(64(9)17-2)130(227)161-54-101(205)165-77(29-33-95(142)199)113(210)164-66(11)110(207)174-88(50-73-52-155-60-163-73)122(219)181-93(59-235)136(233)234/h21-28,52,60-70,76-94,103-109,190-198,235H,16-20,29-51,53-59,141H2,1-15H3,(H2,142,199)(H2,143,200)(H2,144,201)(H2,145,202)(H2,146,203)(H,155,163)(H,160,209)(H,161,227)(H,162,226)(H,164,210)(H,165,205)(H,166,204)(H,167,206)(H,168,208)(H,169,214)(H,170,212)(H,171,222)(H,172,229)(H,173,230)(H,174,207)(H,175,223)(H,176,218)(H,177,213)(H,178,211)(H,179,216)(H,180,215)(H,181,219)(H,182,224)(H,183,225)(H,184,228)(H,185,221)(H,186,220)(H,187,231)(H,188,217)(H,233,234)(H4,147,148,156)(H4,149,150,157)(H4,151,152,158)(H4,153,154,159)/t63-,64-,65-,66-,67+,68+,69+,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,103-,104-,105-,106-,107-,108-,109-/m0/s1

InChIKey

ASDIBDFRRORIAG-LIUGCDLFSA-N

Compound name

(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]-5-oxopentanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoic acid

Related CIDs

• CID 16186427