N.alpha.-succinimide-t140

Structural Information

Molecular Formula

C₉₄H₁₄₄N₃₄O₂₀S₂

SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NN6C(=O)CCC6=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC7=CC=C(C=C7)O

InChI

InChI=1S/C94H144N34O20S2/c95-37-5-3-16-59-77(135)119-65(17-4-6-38-96)87(145)127-45-13-24-72(127)86(144)123-68(48-53-28-33-58(130)34-29-53)82(140)118-61(19-8-40-109-90(99)100)76(134)115-63(21-10-44-113-94(107)148)79(137)124-70(84(142)120-66(88(146)147)23-12-43-112-93(105)106)50-149-150-51-71(85(143)122-67(47-52-26-31-57(129)32-27-52)81(139)117-60(75(133)114-59)18-7-39-108-89(97)98)125-83(141)69(49-54-25-30-55-14-1-2-15-56(55)46-54)121-78(136)62(20-9-41-110-91(101)102)116-80(138)64(22-11-42-111-92(103)104)126-128-73(131)35-36-74(128)132/h1-2,14-15,25-34,46,59-72,126,129-130H,3-13,16-24,35-45,47-51,95-96H2,(H,114,133)(H,115,134)(H,116,138)(H,117,139)(H,118,140)(H,119,135)(H,120,142)(H,121,136)(H,122,143)(H,123,144)(H,124,137)(H,125,141)(H,146,147)(H4,97,98,108)(H4,99,100,109)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H3,107,113,148)/t59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

JOTCDGIQABMULH-DTBIXRLSSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-15-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[(2,5-dioxopyrrolidin-1-yl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16130676
• CID 16130683