D4e1

Structural Information

Molecular Formula

C₉₈H₁₈₁N₃₁O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C98H181N31O18/c1-15-59(11)77(93(144)122-66(36-21-26-44-100)86(137)126-75(95(146)147)53-57(7)8)128-88(139)67(37-22-27-45-101)116-79(130)61(13)115-83(134)71(41-31-49-112-97(107)108)120-91(142)74(52-56(5)6)125-85(136)72(42-32-50-113-98(109)110)121-92(143)76(58(9)10)127-87(138)69(39-24-29-47-103)123-94(145)78(60(12)16-2)129-89(140)68(38-23-28-46-102)117-80(131)62(14)114-82(133)70(40-30-48-111-96(105)106)119-90(141)73(51-55(3)4)124-84(135)65(35-20-25-43-99)118-81(132)64(104)54-63-33-18-17-19-34-63/h17-19,33-34,55-62,64-78H,15-16,20-32,35-54,99-104H2,1-14H3,(H,114,133)(H,115,134)(H,116,130)(H,117,131)(H,118,132)(H,119,141)(H,120,142)(H,121,143)(H,122,144)(H,123,145)(H,124,135)(H,125,136)(H,126,137)(H,127,138)(H,128,139)(H,129,140)(H,146,147)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t59-,60-,61-,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1

InChIKey

MNXYIZULWUNEHO-HAZBXKOASA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 25077574