Pep19-2.5

Structural Information

Molecular Formula

C₁₃₅H₁₈₇N₃₇O₂₂S

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)NCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CN

InChI

InChI=1S/C135H187N37O22S/c136-58-24-19-46-96(116(178)154-78-114(175)156-97(47-20-25-59-137)118(180)165-106(68-83-36-9-3-10-37-83)129(191)172-111(73-88-77-153-95-45-18-15-42-92(88)95)131(193)169-107(69-84-38-11-4-12-39-84)128(190)170-109(117(179)155-79-115(176)177)71-86-75-151-93-43-16-13-40-90(86)93)158-125(187)104(66-81-32-5-1-6-33-81)166-122(184)100(50-23-28-62-140)161-130(192)110(72-87-76-152-94-44-17-14-41-91(87)94)171-124(186)103(53-31-65-150-135(146)147)163-126(188)105(67-82-34-7-2-8-35-82)167-123(185)102(52-30-64-149-134(144)145)160-120(182)101(51-29-63-148-133(142)143)162-127(189)108(70-85-54-56-89(173)57-55-85)168-121(183)99(49-22-27-61-139)159-119(181)98(48-21-26-60-138)164-132(194)112(80-195)157-113(174)74-141/h1-18,32-45,54-57,75-77,96-112,151-153,173,195H,19-31,46-53,58-74,78-80,136-141H2,(H,154,178)(H,155,179)(H,156,175)(H,157,174)(H,158,187)(H,159,181)(H,160,182)(H,161,192)(H,162,189)(H,163,188)(H,164,194)(H,165,180)(H,166,184)(H,167,185)(H,168,183)(H,169,193)(H,170,190)(H,171,186)(H,172,191)(H,176,177)(H4,142,143,148)(H4,144,145,149)(H4,146,147,150)/t96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-/m0/s1

InChIKey

LQHLQYARKDEGDR-DEIOCSKMSA-N

Compound name

2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid

Related CIDs

• CID 53320951