(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid
Molecular Formula:
C51H83N13O11S
InChI: InChI=1/C51H83N13O11S/c1-28(2)26-36(50(74)75)60-45(69)37-17-13-24-64(37)49(73)41(30(5)6)62-44(68)34(19-20-39(53)65)57-43(67)35(21-25-76-7)58-42(66)33(16-11-22-56-51(54)55)59-47(71)40(29(3)4)61-46(70)38-18-12-23-63(38)48(72)32(52)27-31-14-9-8-10-15-31/h8-10,14-15,28-30,32-38,40-41H,11-13,16-27,52H2,1-7H3,(H2,53,65)(H,57,67)(H,58,66)(H,59,71)(H,60,69)(H,61,70)(H,62,68)(H,74,75)(H4,54,55,56)/t32-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1/f/h57-62,74H,53-55H2
InChIKey: InChIKey=UWUWIAOZRFQUML-VOABERLSDG
SMILES: CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N
Names:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid
Registries:
PubChem CID 10235370
PubChem ID 15236245
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|