Vircwncgkeghsarqcrap

Structural Information

Molecular Formula

C₉₃H₁₅₁N₃₅O₂₆S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)O)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C93H151N35O26S3/c1-7-45(4)72(127-87(150)71(97)44(2)3)88(151)120-55(21-14-30-107-93(102)103)79(142)125-64(42-157)86(149)121-58(32-48-35-108-51-17-9-8-16-50(48)51)81(144)122-60(34-67(96)131)83(146)124-62(40-155)75(138)110-37-68(132)114-52(18-10-11-27-94)77(140)118-56(24-26-70(134)135)74(137)109-38-69(133)115-59(33-49-36-104-43-111-49)82(145)123-61(39-129)84(147)112-46(5)73(136)116-54(20-13-29-106-92(100)101)78(141)119-57(23-25-66(95)130)80(143)126-63(41-156)85(148)117-53(19-12-28-105-91(98)99)76(139)113-47(6)89(152)128-31-15-22-65(128)90(153)154/h8-9,16-17,35-36,43-47,52-65,71-72,108,129,155-157H,7,10-15,18-34,37-42,94,97H2,1-6H3,(H2,95,130)(H2,96,131)(H,104,111)(H,109,137)(H,110,138)(H,112,147)(H,113,139)(H,114,132)(H,115,133)(H,116,136)(H,117,148)(H,118,140)(H,119,141)(H,120,151)(H,121,149)(H,122,144)(H,123,145)(H,124,146)(H,125,142)(H,126,143)(H,127,150)(H,134,135)(H,153,154)(H4,98,99,105)(H4,100,101,106)(H4,102,103,107)/t45-,46-,47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-/m0/s1

InChIKey

FXZJUUZUOLDLPR-NFGJGEDKSA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16130366