R5ntp-(1-20)

Structural Information

Molecular Formula

C₁₀₆H₁₅₀N₂₂O₃₇S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C106H150N22O37S2/c1-9-51(5)84(101(159)118-69(43-79(109)138)92(150)113-66(40-55-17-25-59(134)26-18-55)90(148)115-68(42-57-21-29-61(136)30-22-57)94(152)126-86(53(7)132)103(161)120-72(46-129)96(154)111-64(32-34-80(139)140)104(162)127-36-11-13-76(127)98(156)122-75(49-166)106(164)165)124-95(153)71(45-82(143)144)116-91(149)67(41-56-19-27-60(135)28-20-56)117-102(160)85(52(6)10-2)125-99(157)77-14-12-37-128(77)105(163)74(48-131)121-97(155)73(47-130)119-100(158)83(50(3)4)123-88(146)63(31-33-78(108)137)110-89(147)65(39-54-15-23-58(133)24-16-54)114-93(151)70(44-81(141)142)112-87(145)62(107)35-38-167-8/h15-30,50-53,62-77,83-86,129-136,166H,9-14,31-49,107H2,1-8H3,(H2,108,137)(H2,109,138)(H,110,147)(H,111,154)(H,112,145)(H,113,150)(H,114,151)(H,115,148)(H,116,149)(H,117,160)(H,118,159)(H,119,158)(H,120,161)(H,121,155)(H,122,156)(H,123,146)(H,124,153)(H,125,157)(H,126,152)(H,139,140)(H,141,142)(H,143,144)(H,164,165)/t51-,52-,53+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-,84-,85-,86-/m0/s1

InChIKey

JPPAIZNSRBXLLP-HFTLEIOOSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-[(2S)-2-[[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Related CIDs

• CID 16134123