Cwvrllryllrrlktpft

Structural Information

Molecular Formula

C₁₁₀H₁₈₀N₃₂O₂₂S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C110H180N32O22S/c1-57(2)47-77(95(152)127-72(31-20-21-41-111)94(151)140-87(63(13)143)105(162)142-46-26-36-85(142)103(160)138-83(52-65-27-16-15-17-28-65)101(158)141-88(64(14)144)106(163)164)132-91(148)74(33-23-43-122-108(115)116)126-90(147)73(32-22-42-121-107(113)114)128-96(153)78(48-58(3)4)135-99(156)81(51-61(9)10)136-100(157)82(53-66-37-39-68(145)40-38-66)137-92(149)75(34-24-44-123-109(117)118)129-97(154)79(49-59(5)6)134-98(155)80(50-60(7)8)133-93(150)76(35-25-45-124-110(119)120)130-104(161)86(62(11)12)139-102(159)84(131-89(146)70(112)56-165)54-67-55-125-71-30-19-18-29-69(67)71/h15-19,27-30,37-40,55,57-64,70,72-88,125,143-145,165H,20-26,31-36,41-54,56,111-112H2,1-14H3,(H,126,147)(H,127,152)(H,128,153)(H,129,154)(H,130,161)(H,131,146)(H,132,148)(H,133,150)(H,134,155)(H,135,156)(H,136,157)(H,137,149)(H,138,160)(H,139,159)(H,140,151)(H,141,158)(H,163,164)(H4,113,114,121)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/t63-,64-,70+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+/m1/s1

InChIKey

WMKOEHIKAOKCPR-UJDANONVSA-N

Compound name

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

Related CIDs

• CID 71597841