Qvllsswyptsqlcskpgviflt

Structural Information

Molecular Formula

C₁₂₀H₁₈₇N₂₇O₃₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C120H187N27O33S/c1-17-65(14)96(116(175)134-81(49-68-27-19-18-20-28-68)104(163)131-80(48-62(8)9)106(165)145-98(67(16)153)120(179)180)143-115(174)94(63(10)11)141-93(157)53-126-112(171)89-32-25-43-146(89)118(177)76(31-23-24-42-121)128-108(167)84(54-148)138-111(170)88(58-181)140-103(162)78(46-60(4)5)129-100(159)75(39-41-92(124)156)127-107(166)87(57-151)139-117(176)97(66(15)152)144-113(172)90-33-26-44-147(90)119(178)83(50-69-34-36-71(154)37-35-69)135-105(164)82(51-70-52-125-74-30-22-21-29-72(70)74)132-109(168)85(55-149)137-110(169)86(56-150)136-102(161)77(45-59(2)3)130-101(160)79(47-61(6)7)133-114(173)95(64(12)13)142-99(158)73(122)38-40-91(123)155/h18-22,27-30,34-37,52,59-67,73,75-90,94-98,125,148-154,181H,17,23-26,31-33,38-51,53-58,121-122H2,1-16H3,(H2,123,155)(H2,124,156)(H,126,171)(H,127,166)(H,128,167)(H,129,159)(H,130,160)(H,131,163)(H,132,168)(H,133,173)(H,134,175)(H,135,164)(H,136,161)(H,137,169)(H,138,170)(H,139,176)(H,140,162)(H,141,157)(H,142,158)(H,143,174)(H,144,172)(H,145,165)(H,179,180)/t65-,66+,67+,73-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,94-,95-,96-,97-,98-/m0/s1

InChIKey

WVHNUPZISKTREH-QXRQZQPASA-N

Compound name

(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 16130702